SCHEMBL6004185

SCHEMBL6004185

COc1ccc2nccc(Oc3cc(C)c(C)nc3-c3ccccn3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.59
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
RUNX1 Q01196 1/20 0.43
DDR2 Q16832 1/20 0.43
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6004231 0.92 TGFBR1 (0.59) TGFBR1NPC1KDM4E
SCHEMBL6002965 0.88 TGFBR1 (0.49) TGFBR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6002895 0.87 TGFBR1 (0.48) TGFBR1NPC1KDM4E
SCHEMBL6004274 0.87 TGFBR1 (0.48) TGFBR1NPC1KDM4EMEN1KMT2A
SCHEMBL3898480 0.87 TGFBR1 (0.56) TGFBR1
SCHEMBL6005291 0.87 TGFBR1 (0.48) TGFBR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6004307 0.87 TGFBR1 (0.52) TGFBR1NPC1KDM4EALDH1A1MAPT
SCHEMBL6004756 0.86 TGFBR1 (0.56) TGFBR1NPC1RAB9ARUNX1ATM
SCHEMBL6004725 0.86 TGFBR1 (0.48) TGFBR1NPC1KDM4EALDH1A1
SCHEMBL6004226 0.86 TGFBR1 (0.48) TGFBR1NPC1RAB9AKDM4EMEN1

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