SCHEMBL8963419

SCHEMBL8963419

COc1ccc(-c2nc(C=O)c(C)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
TNKS2 Q9H2K2 4/20 0.47
PARP1 P09874 4/20 0.47
TNKS O95271 3/20 0.47
GUSB P08236 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
AURKA O14965 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
ATM Q13315 1/20 0.44
WNT3A P56704 1/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
MPI P34949 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 0.83 TNKS2 (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8964024 0.82 PIN1 (0.62) NPC1RAB9AALDH1A1PKMPARP1
SCHEMBL8963703 0.81 MAPK1 (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8963461 0.81 ALOX5 (0.52) KDM4EALDH1A1SMN1; SMN2PARP1GUSB
SCHEMBL8963654 0.80 PIN1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2TNKS2
SCHEMBL23758278 0.78 KDM4E (0.54) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8963927 0.78 KDM4E (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6655087 0.77 TNKS2 (0.48) NPC1RAB9AKDM4ETNKS2PARP1
SCHEMBL11319685 0.76 MMP2 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2TNKS2
Oxalic Acid SCHEMBL31679103 0.74 SMPD3 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
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