SCHEMBL6005041

SCHEMBL6005041

c1ccc(-c2cc3nccc(Oc4cc5cccnc5nc4-c4ccccc4)c3s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
MET P08581 11/20 0.39
KDR P35968 8/20 0.39
MST1R Q04912 3/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 2/20 0.37
MCHR1 Q99705 1/20 0.35
FLT1 P17948 2/20 0.35

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
SCHEMBL6005342 0.83 MET (0.42) METKDRNPC1MAPT
SCHEMBL6004276 0.80 LMNA (0.39) KDRNPC1SMN1; SMN2
SCHEMBL6004327 0.80 TOP1 (0.42) NPC1MAPTRAB9A
SCHEMBL6004803 0.76 FGFR2 (0.36) KDRNPC1
SCHEMBL6004795 0.76 FGFR2 (0.36) METKDRMST1RNPC1
SCHEMBL6002787 0.76 CCNC (0.39) IKBKBNPC1
SCHEMBL6005302 0.76 DHODH (0.39)
SCHEMBL3895779 0.76 FGFR2 (0.53) KDREGFR
SCHEMBL6005306 0.75 MAPK14 (0.34) METMST1RNPC1
SCHEMBL6004171 0.75 NPC1 (0.33) METKDRMST1RNPC1RAB9A

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