SCHEMBL20339996

SCHEMBL20339996

[N-]=[N+]=NCS(=O)(=O)c1ccnc(CC(N)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.35
▸ SLC7A5 Q01650 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL20339346 0.80 HSD17B10 (0.43) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL29370384 0.80 HSD17B10 (0.43) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL15469193 0.80 HSD17B10 (0.43) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL22775125 0.70 CYP1A2 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL8000728 0.70 CYP1A2 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL29373039 0.70 SLC7A5 (0.41) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL15469201 0.70 SLC7A5 (0.41) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL15511517 0.70 SLC7A5 (0.41) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL24248055 0.69 HSD17B10 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM
SCHEMBL15495937 0.69 HSD17B10 (0.51) CYP1A2HSD17B10SLC7A5PTGS1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562503-A2 POLYPEPTIDE-ANTIGEN CONJUGATES WITH NON-NATURAL AMINO ACIDS Sutrovax, Inc. (US) 2019-11-06 — — EP disclosed
WO-2018126229-A2 POLYPEPTIDE-ANTIGEN CONJUGATES WITH NON-NATURAL AMINO ACIDS SUTROVAX, INC. (US) 2018-07-05 — — WO disclosed
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