SCHEMBL12757486

SCHEMBL12757486

Cc1cccc(-c2cccc(N(c3ccc(-c4ccc(N(c5cccc(C)c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
SIGMAR1 Q99720 6/20 0.40
ENPP3 O14638 2/20 0.37
NR1I3 Q14994 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL21699576 0.96 HSD17B1 (0.39) HSD17B1HSD17B2SIGMAR1ENPP3NR1I3
SCHEMBL10053548 0.94 SIGMAR1 (0.41) HSD17B1HSD17B2SIGMAR1NR1I3CYP1A2
SCHEMBL8363571 0.94 SIGMAR1 (0.43) HSD17B1HSD17B2SIGMAR1CYP1A2CYP2A6
SCHEMBL18069063 0.94 SIGMAR1 (0.43) HSD17B1HSD17B2SIGMAR1CYP1A2CYP2A6
SCHEMBL16344091 0.94 SIGMAR1 (0.43) HSD17B1HSD17B2SIGMAR1CYP1A2CYP2A6
SCHEMBL13809112 0.93 SIGMAR1 (0.42) HSD17B1HSD17B2SIGMAR1NR1I3CYP1A2
SCHEMBL1813433 0.92 SIGMAR1 (0.41) HSD17B1HSD17B2SIGMAR1NR1I3CYP1A2
SCHEMBL18780369 0.92 SIGMAR1 (0.41) HSD17B1HSD17B2SIGMAR1CYP1A2CYP2A6
SCHEMBL4579204 0.92 SIGMAR1 (0.41) HSD17B1HSD17B2SIGMAR1NR1I3CYP1A2
SCHEMBL14018316 0.92 SIGMAR1 (0.41) HSD17B1HSD17B2SIGMAR1NR1I3CYP1A2

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-20110077373-A1 POLYMER AND OPTOELECTRONIC DEVICE COMPRISING THE SAME GENERAL ELECTRIC COMPANY (US) 2011-03-31 US disclosed