SCHEMBL6611074

SCHEMBL6611074

COc1cnc(C(C#N)=Cc2c(Cl)cncc2Cl)cc1OCCc1scnc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
CHEK1 O14757 4/20 0.40
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
HTT P42858 1/20 0.31
ATM Q13315 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
SCHEMBL6611068 1.00 HPGD (0.40) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6607614 0.85 HPGD (0.36) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6607609 0.85 HPGD (0.36) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6605906 0.84 HPGD (0.37) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6605901 0.84 HPGD (0.37) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6605677 0.83 MAPT (0.37) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6605671 0.83 MAPT (0.37) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6605292 0.83 PDE4A (0.44) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6605284 0.83 PDE4A (0.44) HPGDCHEK1ALDH1A1KDM4EMEN1
SCHEMBL6605063 0.83 MAPT (0.36) HPGDCHEK1ALDH1A1KDM4EMEN1

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