SCHEMBL6002965

SCHEMBL6002965

Cc1ccc2nccc(Oc3cc(C)c(C)nc3-c3ccccn3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.49
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SRC P12931 2/20 0.43
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
CBFB Q13951 1/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6003004 0.91 TGFBR1 (0.46) TGFBR1NPC1KDM4ESRCPKM
SCHEMBL6005291 0.90 TGFBR1 (0.48) TGFBR1NPC1KDM4ESRCRAB9A
SCHEMBL6004307 0.90 TGFBR1 (0.52) TGFBR1NPC1KDM4EALDH1A1LMNA
SCHEMBL6004264 0.89 TGFBR1 (0.48) TGFBR1NPC1KDM4ESRCALDH1A1
SCHEMBL6004725 0.89 TGFBR1 (0.48) TGFBR1NPC1KDM4ESRCALDH1A1
SCHEMBL6004226 0.89 TGFBR1 (0.48) TGFBR1NPC1KDM4ERAB9AALDH1A1
SCHEMBL6004657 0.89 TGFBR1 (0.57) TGFBR1NPC1KDM4ESRCMETAP2
SCHEMBL6004134 0.88 KDM4E (0.52) TGFBR1NPC1KDM4ESRCMETAP2
SCHEMBL6004185 0.88 TGFBR1 (0.59) TGFBR1NPC1KDM4ERAB9AALDH1A1
SCHEMBL6004154 0.88 TGFBR1 (0.47) TGFBR1NPC1KDM4ESRC

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