SCHEMBL8963941

SCHEMBL8963941

COc1ccccc1-c1nc(C=O)c(C)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
SLC9A1 P19634 1/20 0.49
PDE5A O76074 4/20 0.48
AURKA O14965 1/20 0.48
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
DCUN1D1 Q96GG9 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PARP1 P09874 1/20 0.45
ALPL P05186 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
METAP2 P50579 1/20 0.41

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
SCHEMBL8963721 0.81 ALDH1A1 (0.50) L3MBTL1SLC9A1DCUN1D1ALDH1A1GAA
SCHEMBL23758277 0.80 L3MBTL1 (0.58) L3MBTL1SLC9A1PDE5AAURKAFGFR1
SCHEMBL8963588 0.79 GAA (0.49) SLC9A1DCUN1D1ALDH1A1GAAPARP1
SCHEMBL8963777 0.77 TRPA1 (0.36) L3MBTL1SLC9A1ALDH1A1GAAPARP1
SCHEMBL24027863 0.76 MGAM (0.44) L3MBTL1SLC9A1GAAPARP1
Oxalic Acid SCHEMBL31679114 0.75 L3MBTL1 (0.61) L3MBTL1SLC9A1PDE5AAURKAFGFR1
SCHEMBL8963461 0.75 ALOX5 (0.52) SLC9A1ALDH1A1GAAPARP1HSD17B10
SCHEMBL4147913 0.75 L3MBTL1 (0.54) L3MBTL1SLC9A1PDE5AAURKAFGFR1
SCHEMBL8963614 0.75 L3MBTL1 (0.68) L3MBTL1SLC9A1PDE5AAURKAFGFR1
SCHEMBL8963654 0.74 PIN1 (0.56) L3MBTL1SLC9A1ALDH1A1GAAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
US-5276034-A Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents SYNTEX PHARMACEUTICAL LTD. (GB) 1994-01-04 US disclosed
US-5252736-A Calcium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1993-10-12 US disclosed
EP-0289227-B1 SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES SYNTEX PHARMACEUTICALS LTD. (GB) 1992-04-08 EP disclosed
US-5091428-A Calcium channel blockers preferential for cerebral blood vessels SYNTEX PHARMACEUTICALS, LTD. (BM) 1992-02-25 US disclosed
US-5043447-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1991-08-27 US disclosed
US-5010075-A Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent SYNTEX PHARMACEUTICALS LTD. (GB) 1991-04-23 US disclosed
US-4935417-A CALCIUM CHANNEL BLOCKERS SYNTEX PHARMACEUTICALS LTD. (BM) 1990-06-19 US disclosed
US-4829065-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1989-05-09 US disclosed
EP-0289227-A1 Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS LTD. (GB) 1988-11-02 EP disclosed