SCHEMBL6607113

SCHEMBL6607113

COc1cnc(COc2cc(C(C#N)=Cc3c(Cl)cncc3Cl)ncc2OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
KDM4E B2RXH2 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
ATM Q13315 1/20 0.34
EGFR P00533 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
IGF1R P08069 1/20 0.33
IGF2R P11717 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL6607108 1.00 MAPT (0.41) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606599 0.86 MAPT (0.37) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606590 0.86 MAPT (0.37) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6607214 0.85 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6607217 0.85 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605677 0.85 MAPT (0.37) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605671 0.85 MAPT (0.37) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606713 0.84 MAPT (0.35) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606719 0.84 MAPT (0.35) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605292 0.84 PDE4A (0.44) MAPTKDM4ENPSR1ALDH1A1TDP1

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