SCHEMBL6605906

SCHEMBL6605906

COc1ncc(C(C#N)=Cc2c(Cl)cncc2Cl)cc1OCCc1scnc1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
CHEK1 O14757 2/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
EGFR P00533 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31

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
SCHEMBL6605901 1.00 HPGD (0.37) HPGDCHEK1CYP4F2CYP4A11KMT2A
SCHEMBL6611068 0.84 HPGD (0.40) HPGDCHEK1CYP4F2CYP4A11KMT2A
SCHEMBL6611074 0.84 HPGD (0.40) HPGDCHEK1CYP4F2CYP4A11KMT2A
SCHEMBL6610774 0.83 RECQL (0.36) KDM4ERECQLSMN1; SMN2HIF1AEGFR
SCHEMBL6610767 0.83 RECQL (0.36) KDM4ERECQLSMN1; SMN2HIF1AEGFR
SCHEMBL6610815 0.82 SMN1; SMN2 (0.35) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL6610811 0.82 SMN1; SMN2 (0.35) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL6606234 0.82 PDE4D (0.43) KMT2AKDM4EMEN1RECQLSMN1; SMN2
SCHEMBL6606241 0.82 PDE4D (0.43) KMT2AKDM4EMEN1RECQLSMN1; SMN2
SCHEMBL6605347 0.82 CYP11B1 (0.40) HPGDKMT2AKDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed