SCHEMBL8963967

SCHEMBL8963967

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
PARP1 P09874 1/20 0.46
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE5A O76074 3/20 0.43
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
AURKA O14965 1/20 0.43
PIN1 Q13526 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.42

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
SCHEMBL8963614 0.84 L3MBTL1 (0.68) SLC9A1L3MBTL1PARP1ALOX15HSD17B10
SCHEMBL8963633 0.84 SLC9A1 (0.60) SLC9A1PIN1DCUN1D1
SCHEMBL8963869 0.82 SLC9A1 (0.57) SLC9A1PARP1PIN1
SCHEMBL8963724 0.80 SLC9A1 (0.43) SLC9A1L3MBTL1PARP1PIN1
SCHEMBL8963968 0.78 PIN1 (0.69) SLC9A1PIN1
SCHEMBL8964001 0.76 PIN1 (0.51) SLC9A1PARP1ALOX15PIN1
Oxalic Acid SCHEMBL31679114 0.76 L3MBTL1 (0.61) SLC9A1L3MBTL1PARP1ALOX15HSD17B10
SCHEMBL8963666 0.75 PIN1 (0.73) SLC9A1PARP1AURKAPIN1
SCHEMBL23758277 0.74 L3MBTL1 (0.58) SLC9A1L3MBTL1PARP1PDE5AFGFR1
Oxalic Acid SCHEMBL31679073 0.72 L3MBTL1 (0.54) SLC9A1L3MBTL1PARP1ALOX15HSD17B10

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