SCHEMBL8963883

SCHEMBL8963883

CC(=O)c1nc(-c2ccc(C)cc2)[nH]c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.47
▸ PIN1 Q13526 2/20 0.42
▸ CHEK2 O96017 2/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TNKS O95271 3/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ TNKS2 Q9H2K2 3/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HPSE Q9Y251 1/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ EGFR P00533 1/20 0.36

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
SCHEMBL8963676 0.83 GSK3B (0.41) IKBKBPIN1CHEK2RAB9ASMN1; SMN2
SCHEMBL8963852 0.76 PIN1 (0.53) IKBKBPIN1KDM4EALDH1A1HPGD
SCHEMBL8963710 0.74 RAB9A (0.41) CHEK2RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL10650043 0.71 PIN1 (0.78) PIN1CHEK2KDM4EMEN1ALDH1A1
SCHEMBL8963474 0.71 RAB9A (0.36) CHEK2RAB9ASMN1; SMN2KDM4EMEN1
Hydrochloric Acid SCHEMBL8963801 0.70 RAB9A (0.38) CHEK2RAB9ASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8963890 0.70 RAB9A (0.35) CHEK2RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL8964072 0.69 PIN1 (0.55) PIN1CHEK2RAB9ASMN1; SMN2KDM4E
SCHEMBL11474673 0.69 CHEK2 (0.52) IKBKBPIN1CHEK2KDM4EMEN1
Hydrochloric Acid SCHEMBL8963908 0.69 RAB9A (0.37) CHEK2RAB9ASMN1; SMN2MEN1ALDH1A1

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
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