SCHEMBL8963852

SCHEMBL8963852

CC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)[nH]c1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.53
IKBKB O14920 2/20 0.51
HDAC6 Q9UBN7 2/20 0.47
TNKS O95271 4/20 0.46
TNKS2 Q9H2K2 4/20 0.46
SLC9A1 P19634 4/20 0.44
MAPT P10636 1/20 0.43
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NPBWR1 P48145 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
SCHEMBL8963842 0.83 PIN1 (0.48) PIN1IKBKBHDAC6TNKSTNKS2
SCHEMBL8964054 0.83 PIN1 (0.63) PIN1SLC9A1MAPTKDM4EALDH1A1
SCHEMBL8964072 0.81 PIN1 (0.55) PIN1TNKSTNKS2SLC9A1MAPT
SCHEMBL5918226 0.81 PIN1 (0.78) PIN1SLC9A1MAPTKDM4E
SCHEMBL10679049 0.80 PIN1 (0.57) PIN1SLC9A1MAPTKDM4EALDH1A1
SCHEMBL8964177 0.79 PIN1 (0.56) PIN1TNKSTNKS2SLC9A1MAPT
SCHEMBL8963883 0.76 IKBKB (0.47) PIN1IKBKBTNKSTNKS2MAPT
SCHEMBL28158003 0.75 PIN1 (0.71) PIN1TNKSTNKS2SLC9A1PARP1
SCHEMBL8963927 0.74 KDM4E (0.48) PIN1HDAC6TNKSTNKS2MAPT
SCHEMBL10939257 0.74 KDM4E (0.47) PIN1SLC9A1MAPTKDM4EALDH1A1

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