SCHEMBL9842954

SCHEMBL9842954

O=C(Nc1ccc(O)cc1)c1cnoc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.54
DEGS1 O15121 3/20 0.49
SNCA P37840 1/20 0.49
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL9081513 0.85 TRPV1 (0.50) NPC1RAB9AGAALMNATOP1
SCHEMBL8808773 0.85 MAPK1 (0.57) NPC1TP53RAB9ALMNAMAPT
SCHEMBL8597230 0.85 NPC1 (0.56) SNCANPC1RAB9AMAPTPOLB
SCHEMBL8811207 0.85 TP53 (0.54) NPC1TP53RAB9AMAPTMEN1
SCHEMBL892704 0.85 HTT (0.54) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL9843014 0.81 NPC1 (0.60) NPC1TP53RAB9ALMNAMAPT
SCHEMBL9843089 0.81 RAB9A (0.64) NPC1TP53RAB9AGAALMNA
SCHEMBL8811109 0.81 RAB9A (0.66) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL9842872 0.81 HDAC3 (0.59) NPC1RAB9AKDM4EHPGDMEN1
SCHEMBL5591039 0.80 KMT2A (0.60) NPC1RAB9ALMNAALDH1A1MAPT

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
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed