SCHEMBL5287232

SCHEMBL5287232

NC(Cc1ccnc(Br)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.55
▸ SLC7A5 Q01650 7/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PKM P14618 2/20 0.51
▸ ALPI P09923 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ GRIA2 P42262 1/20 0.47
▸ NOS3 P29474 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7271055 1.00 HSD17B10 (0.55) HSD17B10SLC7A5PTGS1KDM4EUSP2
SCHEMBL25354508 0.82 GABRP (0.60) HSD17B10SLC7A5PTGS1KDM4EUSP2
SCHEMBL22775321 0.82 GABRP (0.60) HSD17B10SLC7A5PTGS1KDM4EUSP2
SCHEMBL25305878 0.82 KDM6B (0.51) HSD17B10KDM4E
SCHEMBL29604446 0.82 GABRP (0.60) HSD17B10SLC7A5PTGS1KDM4EUSP2
SCHEMBL14780595 0.82 GABRP (0.60) HSD17B10SLC7A5PTGS1KDM4EUSP2
SCHEMBL22775018 0.82 ALDH1A1 (0.47) HSD17B10SLC7A5PTGS2
SCHEMBL6371715 0.81 HSD17B10 (0.55) HSD17B10SLC7A5PTGS1KDM4EUSP2
SCHEMBL15562032 0.81 HSD17B10 (0.55) HSD17B10SLC7A5PTGS1KDM4EUSP2
SCHEMBL31073989 0.81 HSD17B10 (0.55) HSD17B10SLC7A5PTGS1KDM4EUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 — — EP claimed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 — — CN claimed
WO-2020250223-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2020-12-17 — — WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US claimed
CN-117642069-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-03-01 — — CN disclosed
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 — — EP disclosed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 — — CN disclosed
WO-2020250223-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2020-12-17 — — WO disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 — — WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 — — WO disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 — — US disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 — — US disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 — — WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 — — EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 — — WO disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 — — US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 — — EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 — — EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 — — EP disclosed
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