SCHEMBL9868146

SCHEMBL9868146

Clc1ccccc1-c1nc2ccncc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 5/20 0.55
MAPT P10636 2/20 0.55
C1R P00736 1/20 0.50
ELANE P08246 1/20 0.49
HPGD P15428 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9867701 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL16459759 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9868318 0.81 F7 (0.62) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL220140 0.81 L3MBTL1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9868967 0.77 ALDH1A1 (0.63) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9869312 0.76 MAPT (0.56) NPC1RAB9ASMN1; SMN2MAPTC1R
SCHEMBL19549862 0.76 PDCD1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9867106 0.74 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL16972929 0.74 HSD17B10 (0.60) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL21583676 0.72 FAAH (0.36) NPC1RAB9ASMN1; SMN2TP53HPGD

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-5077408-A PROCESS FOR THE SYNTHESIS OF OXAZOLOPYRIDINE COMPOUNDS SCIENCE ET ORGANISATION (FR) 1991-12-31 US disclosed