SCHEMBL10102064

SCHEMBL10102064

C=CC(=O)OCCCN(c1cc(C)c(/N=N/c2c(C#N)cnn2-c2nc3ccccc3s2)c(Nc2c(C)cc(C)cc2C)n1)c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL13610070 0.76
SCHEMBL10101855 0.72 RAB9A (0.57) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL13848176 0.71 NPC1 (0.31) NPC1RAB9A
SCHEMBL10050349 0.69 NPC1 (0.35) NPC1RAB9AALDH1A1MAPT
SCHEMBL13610056 0.69 KDM4E (0.31) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL10101871 0.68 RAB9A (0.55) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL14463276 0.68 NPC1 (0.32) NPC1RAB9A
SCHEMBL10233070 0.67
SCHEMBL10331480 0.67 NPC1 (0.33) NPC1RAB9A
SCHEMBL12235444 0.67 NPC1 (0.33) NPC1RAB9AALDH1A1MAPT

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-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed