SCHEMBL19954490

SCHEMBL19954490

CCCCCCCCc1cc(Cc2cc(C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 3/20 0.39
PTGS2 P35354 3/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL456993 0.94 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL31267544 0.94 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL30298106 0.94 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL7649641 0.88 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL709920 0.88 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL38926 0.88 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL710157 0.88 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL10744136 0.88 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL7577937 0.88 NPC1 (0.43) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL9628940 0.88 NPC1 (0.56) NPC1RAB9APOLBLMNAKDM4E

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-9915837-B2 Optical film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2018-03-13 US disclosed