SCHEMBL9366172

SCHEMBL9366172

CCCCCNC(=O)Cc1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 5/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SPHK2 Q9NRA0 1/20 0.57
SPHK1 Q9NYA1 1/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL13405897 0.82 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1HSD17B10MAPTLMNA
SCHEMBL12409534 0.79 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL28378029 0.79 HDAC3 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9ASPHK2
SCHEMBL28372899 0.78 DAGLA (0.58) SMN1; SMN2ALDH1A1NPC1RAB9ASPHK2
SCHEMBL28378370 0.78 DAGLA (0.58) SMN1; SMN2ALDH1A1NPC1RAB9ASPHK2
SCHEMBL28373629 0.78 DAGLA (0.58) SMN1; SMN2ALDH1A1NPC1RAB9ASPHK2
SCHEMBL10035809 0.78 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13405873 0.77 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HSD17B10MAPTLMNA
SCHEMBL22246722 0.77 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9ASPHK2
SCHEMBL5307911 0.76 KDM4E (0.74) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed