SCHEMBL6002787

SCHEMBL6002787

c1ccc(-c2nc3ncccc3cc2Oc2ccnc3ccncc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
MAPK10 P53779 1/20 0.38
NPC1 O15118 1/20 0.36
DHODH Q02127 1/20 0.35
TNF P01375 1/20 0.35
PIK3CA P42336 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
IKBKB O14920 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPK14 Q16539 1/20 0.33
CYP2A6 P11509 1/20 0.33
BRAF P15056 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
SCHEMBL6004276 0.88 LMNA (0.39) NPC1DHODHBRAF
SCHEMBL6005302 0.83 DHODH (0.39) CCNCCDK8DHODHMAPK14
SCHEMBL6004795 0.82 FGFR2 (0.36) NPC1DHODHMAPK14
SCHEMBL6004803 0.82 FGFR2 (0.36) NPC1DHODH
SCHEMBL6005261 0.81 KDM4E (0.49)
SCHEMBL6004327 0.81 TOP1 (0.42) NPC1DHODHMAPK14
SCHEMBL3895779 0.81 FGFR2 (0.53)
SCHEMBL6005353 0.81 CCNC (0.40) CCNCCDK8DHODHMAPK14BRAF
SCHEMBL6004728 0.80 CYP1A2 (0.37) DHODHMAPK14BRAF
SCHEMBL6004736 0.79 KDM4E (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed