SCHEMBL14352146

SCHEMBL14352146

c1ccc([C@@H]2COC(c3cccc(C4=N[C@@H](c5ccccc5)CO4)c3)=N2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 2/20 0.70
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TAAR1 Q96RJ0 5/20 0.54
POLB P06746 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1298504 1.00 NPC1 (0.70) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL13495018 0.91 NPC1 (0.71) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL1149438 0.91 NPC1 (0.71) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL29938562 0.91 NPC1 (0.71) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9614459 0.89 NPC1 (0.61) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8304084 0.89 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8550159 0.89 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8304089 0.89 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8307476 0.89 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8304092 0.89 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481756-B2 Curable composition THREEBOND FINE CHEMICAL CO., LTD. (JP) 2016-11-01 US disclosed
US-20130005854-A1 CURABLE COMPOSITION THREE BOND CO., LTD. (JP) 2013-01-03 US disclosed