SCHEMBL8963749

SCHEMBL8963749

Cc1ccc(-c2nc(C(O)C(C)C)c(-c3ccc(C)cc3)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
GCGR P47871 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
SMPD3 Q9NY59 1/20 0.41
MAPT P10636 2/20 0.40
CHEK2 O96017 3/20 0.39
NPBWR1 P48145 2/20 0.38
TNKS O95271 3/20 0.37
PARP1 P09874 3/20 0.37
TNKS2 Q9H2K2 3/20 0.37
HTT P42858 2/20 0.36

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
SCHEMBL8963474 0.81 RAB9A (0.36) ALDH1A1HPGDMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8963642 0.80 MAPK13 (0.42) ALDH1A1HPGDMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8963890 0.80 RAB9A (0.35) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8963493 0.74 MAPK1 (0.44) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8963701 0.73 PIN1 (0.51) KDM4EGAASMPD3MAPTTNKS
SCHEMBL8963774 0.72 NOX1 (0.45) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8963655 0.72 HDAC6 (0.44) ALDH1A1GCGRNPBWR1TNKSPARP1
SCHEMBL29010436 0.71 MAPK13 (0.71) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8963606 0.70 NISCH (0.39) ALDH1A1HPGDMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8963653 0.69 NISCH (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E

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