SCHEMBL6607614

SCHEMBL6607614

COc1ccc(C(C#N)=Cc2c(Cl)cncc2Cl)nc1OCCc1scnc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
CHEK1 O14757 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 2/20 0.32
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
HTT P42858 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
SCHEMBL6607609 1.00 HPGD (0.36) HPGDCHEK1KDM4EMAPTALDH1A1
SCHEMBL6611068 0.85 HPGD (0.40) HPGDCHEK1KDM4EMAPTALDH1A1
SCHEMBL6611074 0.85 HPGD (0.40) HPGDCHEK1KDM4EMAPTALDH1A1
SCHEMBL6609082 0.83 MAPT (0.38) HPGDKDM4EMAPTALDH1A1NPSR1
SCHEMBL6609086 0.83 MAPT (0.38) HPGDKDM4EMAPTALDH1A1NPSR1
SCHEMBL6605803 0.83 PDE4D (0.44) HPGDCHEK1KDM4EMAPTALDH1A1
SCHEMBL6605809 0.83 PDE4D (0.44) HPGDCHEK1KDM4EMAPTALDH1A1
SCHEMBL8398005 0.82 PDE4D (0.40) HPGDKDM4EMAPTALDH1A1NPSR1
SCHEMBL8398010 0.82 PDE4D (0.40) HPGDKDM4EMAPTALDH1A1NPSR1
SCHEMBL6609522 0.82 MAPT (0.37) HPGDKDM4EMAPTALDH1A1NPSR1

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