SCHEMBL12420307

SCHEMBL12420307

CCC(c1ccc(OC)cc1)n1cnc2cc(N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
FGFR1 P11362 5/20 0.47
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
KDR P35968 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
GSK3B P49841 1/20 0.36
CYP17A1 P05093 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL2299858 0.85 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2FGFR1HPGD
SCHEMBL2294183 0.84 MAPT (0.50) MAPTALDH1A1SMN1; SMN2FGFR1HSD17B10
SCHEMBL19911407 0.74 MAPT (0.50) MAPTALDH1A1SMN1; SMN2FGFR1HSD17B10
SCHEMBL12421824 0.74 LCK (0.45) MAPTALDH1A1FGFR1HSD17B10NPC1
SCHEMBL19848232 0.72 FGFR1 (0.50) MAPTALDH1A1SMN1; SMN2FGFR1HSD17B10
SCHEMBL3346179 0.72 ALDH1A1 (1.00) MAPTALDH1A1SMN1; SMN2FGFR1NPC1
SCHEMBL2295162 0.72 FGFR1 (0.42) MAPTALDH1A1SMN1; SMN2FGFR1HSD17B10
SCHEMBL166982 0.72 QPCT (0.65) MAPTALDH1A1SMN1; SMN2FGFR1HSD17B10
SCHEMBL2295709 0.71 TNF (0.40) MAPTALDH1A1SMN1; SMN2FGFR1HSD17B10
SCHEMBL5952386 0.71 FGFR1 (0.49) MAPTALDH1A1SMN1; SMN2FGFR1NPC1

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
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed