SCHEMBL8553777

SCHEMBL8553777

CCC(Br)Oc1c(C)cc(-c2nnn(C)n2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8661861 0.81 SMN1; SMN2 (0.32) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8553886 0.79 PPARG (0.35) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8604571 0.79 PPARG (0.35) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8553780 0.77 NPC1 (0.36) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8553807 0.75 CTSA (0.35) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8551725 0.74
SCHEMBL20119103 0.73 ALDH1A1 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL22911187 0.72 RAB9A (0.36) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8557108 0.72 L3MBTL1 (0.31) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8555533 0.72 KMT2A (0.32) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed