SCHEMBL8963531

SCHEMBL8963531

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK13 O15264 1/20 0.46
GCGR P47871 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
NPBWR1 P48145 2/20 0.44
CHEK2 O96017 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL11349253 0.84 TNKS2 (0.44) MEN1ALDH1A1KMT2AKDM4EGLA
SCHEMBL8963710 0.79 RAB9A (0.41) MEN1ALDH1A1KMT2AKDM4EGLA
SCHEMBL29010436 0.74 MAPK13 (0.71) MEN1ALDH1A1KMT2AKDM4EGLA
SCHEMBL28767295 0.74 TNKS2 (0.44) MEN1ALDH1A1KMT2AKDM4EGLA
SCHEMBL2175497 0.71 MAPK14 (0.40) KDM4EGAAHPGDMAPK13GCGR
SCHEMBL8963703 0.71 MAPK1 (0.51) MEN1ALDH1A1KMT2AKDM4EGAA
SCHEMBL13041693 0.71 NPBWR1 (0.64) MEN1ALDH1A1KMT2AKDM4EGLA
SCHEMBL15330312 0.70 TNKS (0.42) MEN1ALDH1A1KMT2AKDM4EGLA
SCHEMBL23758282 0.70 GAA (0.58) MEN1ALDH1A1KMT2AKDM4EGLA
SCHEMBL8963654 0.70 PIN1 (0.56) MEN1ALDH1A1KMT2AGAAHPGD

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