SCHEMBL6969918

SCHEMBL6969918

N=C1CCCCC(Cc2ccco2)N1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.34
ALDH1A1 P00352 8/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6975449 0.82 USP2 (0.41) USP2TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL6971463 0.75 POLB (0.56) POLB
Hydrochloric Acid SCHEMBL6968507 0.74 POLB (0.54) KMT2AMEN1POLB
SCHEMBL6977728 0.73 HSD17B10 (0.41) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL6976712 0.73 USP2 (0.43) USP2TSHRALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6981625 0.72 HSD17B10 (0.40) HPGDKMT2AMEN1MAPK1MAPT
SCHEMBL6969853 0.72 GLA (0.41) ALDH1A1SMN1; SMN2KMT2AHTTLMNA
SCHEMBL6978947 0.71 NOTUM (0.45) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL6967974 0.71 POLB (0.39) TSHRALDH1A1MAPTPOLB
SCHEMBL6968367 0.71 POLB (0.39) ALDH1A1SMN1; SMN2HTTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed