SCHEMBL6975738

SCHEMBL6975738

O=C1CCCCC(Cc2cccs2)N1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
MAPT P10636 2/20 0.42
PARP1 P09874 1/20 0.40
HPGD P15428 2/20 0.40
CTSD P07339 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL6977728 0.82 HSD17B10 (0.41) HSD17B10MAPTPARP1HPGDKMT2A
Hydrochloric Acid SCHEMBL6981625 0.81 HSD17B10 (0.40) HSD17B10MAPTPARP1HPGDKMT2A
SCHEMBL23459341 0.75 CTSD (0.58) CTSDPOLB
SCHEMBL6970123 0.75 CTSD (0.58) CTSDPOLB
SCHEMBL25281534 0.74 POLB (0.54) HSD17B10HPGDKMT2AALDH1A1MEN1
SCHEMBL5593810 0.74 HSD17B10 (0.44) HSD17B10MAPTPARP1HPGDKMT2A
SCHEMBL6975449 0.73 USP2 (0.41) HSD17B10MAPTHPGDCTSDKMT2A
SCHEMBL23458977 0.73 ALDH1A1 (0.43) HSD17B10MAPTCTSDKMT2AALDH1A1
SCHEMBL9520411 0.73 POLB (0.49) HSD17B10POLB
SCHEMBL6977732 0.73 HSD17B10 (0.40) HSD17B10MAPTHPGDKMT2AALDH1A1

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 6 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 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