SCHEMBL8963571

SCHEMBL8963571

Cc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.46
SLC9A1 P19634 4/20 0.44
GSK3B P49841 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NPY5R Q15761 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL8963968 0.85 PIN1 (0.69) PIN1MAPTMAPK1SLC9A1GSK3B
SCHEMBL8963769 0.84 PIN1 (0.72) PIN1SLC9A1MGAMGAASI
SCHEMBL8964001 0.83 PIN1 (0.51) PIN1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8963842 0.83 PIN1 (0.48) PIN1ALDH1A1MAPTSLC9A1KDM4E
SCHEMBL8964072 0.82 PIN1 (0.55) PIN1ALDH1A1MEN1MAPTKMT2A
SCHEMBL14799969 0.78 PIN1 (0.51) PIN1ALDH1A1MAPTMAPK1SLC9A1
SCHEMBL8963720 0.78 PIN1 (0.71) PIN1ALDH1A1SLC9A1KDM4EPKM
SCHEMBL8963869 0.78 SLC9A1 (0.57) PIN1ALDH1A1SLC9A1KDM4EMGAM
SCHEMBL10679043 0.77 PIN1 (0.50) PIN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL8963633 0.74 SLC9A1 (0.60) PIN1ALDH1A1SLC9A1HPGDSMN1; 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 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