SCHEMBL8963588

SCHEMBL8963588

Cc1[nH]c(-c2ccccc2Cl)nc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
SLC9A1 P19634 1/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GUSB P08236 1/20 0.47
PTGES O14684 3/20 0.44
DCUN1D1 Q96GG9 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 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
SCHEMBL8963721 0.84 ALDH1A1 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8963941 0.79 L3MBTL1 (0.59) GAAALDH1A1SLC9A1DCUN1D1PARP1
SCHEMBL8963777 0.79 TRPA1 (0.36) GAAALDH1A1NPC1RAB9AKDM4E
SCHEMBL23758280 0.78 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8963654 0.77 PIN1 (0.56) GAAALDH1A1NPC1RAB9ASLC9A1
SCHEMBL24027873 0.74 PIN1 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8963703 0.74 MAPK1 (0.51) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3917722 0.74 PIN1 (0.65) GAAMGAMSIMGAM2ALDH1A1
Oxalic Acid SCHEMBL31679077 0.74 SLC9A1 (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8963790 0.74 SLC9A1 (0.62) GAAMGAMSIMGAM2ALDH1A1

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