SCHEMBL6004134

SCHEMBL6004134

Cc1cc2nccc(Oc3cc(C)c(C)nc3-c3ccccn3)c2cc1C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
TGFBR1 P36897 14/20 0.51
SRC P12931 4/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
CBFB Q13951 1/20 0.40

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
SCHEMBL6004942 0.91 TGFBR1 (0.55) KDM4ENPC1TGFBR1SRC
SCHEMBL6005496 0.90 TGFBR1 (0.48) KDM4ENPC1TGFBR1SRC
SCHEMBL3898480 0.90 TGFBR1 (0.56) TGFBR1SRC
SCHEMBL6004307 0.89 TGFBR1 (0.52) KDM4ENPC1TGFBR1
SCHEMBL6002965 0.88 TGFBR1 (0.49) KDM4ENPC1TGFBR1SRCMETAP2
SCHEMBL6004802 0.87 TGFBR1 (0.48) KDM4ENPC1TGFBR1SRC
SCHEMBL6005291 0.87 TGFBR1 (0.48) KDM4ENPC1TGFBR1SRC
SCHEMBL6004261 0.86 TGFBR1 (0.48) KDM4ENPC1TGFBR1SRC
SCHEMBL6004657 0.86 TGFBR1 (0.57) KDM4ENPC1TGFBR1SRCMETAP2
SCHEMBL6004725 0.86 TGFBR1 (0.48) KDM4ENPC1TGFBR1SRCCBFB

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