SCHEMBL8963774

SCHEMBL8963774

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 1/20 0.42
PARP1 P09874 4/20 0.41
MAPT P10636 4/20 0.41
TNKS O95271 3/20 0.41
TNKS2 Q9H2K2 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GFER P55789 2/20 0.41
MPI P34949 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GUSB P08236 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
SCHEMBL10534357 0.89 NOX1 (0.43) NOX1KDM4EALDH1A1NPC1RAB9A
SCHEMBL8963657 0.84 PIN1 (0.58) AURKAPARP1CYP1A2
SCHEMBL8963493 0.82 MAPK1 (0.44) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL8963735 0.82 ALOX5 (0.49) KDM4EALDH1A1SMN1; SMN2PARP1MAPT
SCHEMBL8963701 0.82 PIN1 (0.51) KDM4ENPC1RAB9APARP1MAPT
Hydrochloric Acid SCHEMBL8963572 0.82 KDM4E (0.43) NOX1KDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL8963524 0.81 KDM4E (0.46) NOX1KDM4EALDH1A1NPC1RAB9A
SCHEMBL8963655 0.80 HDAC6 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL8963835 0.75 L3MBTL1 (0.52) ALDH1A1AURKAPARP1GAASLC2A1
SCHEMBL23758278 0.75 KDM4E (0.54) NOX1KDM4EALDH1A1NPC1RAB9A

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