SCHEMBL8963710

SCHEMBL8963710

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TNKS2 Q9H2K2 6/20 0.40
TNKS O95271 5/20 0.40
PARP1 P09874 4/20 0.40
NPBWR1 P48145 2/20 0.38
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 1/20 0.36
CHEK2 O96017 1/20 0.36
WNT3A P56704 1/20 0.35

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 0.80 TNKS2 (0.44) RAB9ASMN1; SMN2TNKS2TNKSPARP1
SCHEMBL8963531 0.79 MEN1 (0.47) RAB9ASMN1; SMN2TNKS2TNKSPARP1
SCHEMBL8963927 0.75 KDM4E (0.48) RAB9ASMN1; SMN2TNKS2TNKSPARP1
SCHEMBL8963883 0.74 IKBKB (0.47) RAB9ASMN1; SMN2TNKS2TNKSPARP1
Hydrochloric Acid SCHEMBL8963801 0.74 RAB9A (0.38) RAB9ASMN1; SMN2TNKS2TNKSPARP1
SCHEMBL28767295 0.70 TNKS2 (0.44) RAB9ASMN1; SMN2TNKS2TNKSPARP1
SCHEMBL8963676 0.70 GSK3B (0.41) RAB9ASMN1; SMN2TNKS2TNKSPARP1
Hydrochloric Acid SCHEMBL8963908 0.70 RAB9A (0.37) RAB9ASMN1; SMN2TNKS2TNKSPARP1
SCHEMBL8489746 0.69 BTK (0.39) RAB9ASMN1; SMN2TNKS2TNKSPARP1
SCHEMBL8963474 0.69 RAB9A (0.36) RAB9ASMN1; SMN2TNKS2TNKSPARP1

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