SCHEMBL8963493

SCHEMBL8963493

Cc1[nH]c(-c2ccc(Cl)cc2)nc1C(O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NPY5R Q15761 1/20 0.42
TNKS O95271 3/20 0.39
TNKS2 Q9H2K2 3/20 0.39
PARP2 Q9UGN5 2/20 0.39
CHEK2 O96017 2/20 0.38
TYMP P19971 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK13 O15264 1/20 0.37
GCGR P47871 1/20 0.37
MAPK12 P53778 1/20 0.37

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
SCHEMBL8963701 0.84 PIN1 (0.51) MAPK1GAANPY5RTNKSTNKS2
SCHEMBL8963778 0.83 PIN1 (0.56) GAAMGAMSIMGAM2NPY5R
SCHEMBL8963774 0.82 NOX1 (0.45) GAATNKSTNKS2CHEK2KDM4E
SCHEMBL8963655 0.82 HDAC6 (0.44) TNKSTNKS2NPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL8963854 0.82 MAPK1 (0.44) MAPK1GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL8963678 0.81 MAPK1 (0.46) MAPK1GAAMGAMSIMGAM2
SCHEMBL8964014 0.77 GAA (0.46) GAAMGAMSIMGAM2KDM4E
SCHEMBL8963940 0.77 PIN1 (0.55) TYMPKDM4ENPC1ALDH1A1HPGD
SCHEMBL8963735 0.76 ALOX5 (0.49) GAAMGAMSIMGAM2KDM4E
SCHEMBL8963749 0.74 ALDH1A1 (0.44) MAPK1GAATNKSTNKS2CHEK2

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