SCHEMBL9843089

SCHEMBL9843089

COc1ccc(NC(=O)c2cnoc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.64
NPC1 O15118 10/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
TP53 P04637 3/20 0.64
ALOX15 P16050 1/20 0.64
GAA P10253 3/20 0.58
KMT2A Q03164 4/20 0.56
P4HTM Q9NXG6 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
MEN1 O00255 3/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL9842888 0.82 TRPV1 (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9842954 0.81 NQO2 (0.54) RAB9ANPC1TP53GAAKMT2A
SCHEMBL9081513 0.80 TRPV1 (0.50) RAB9ANPC1GAAKMT2APOLB
SCHEMBL8597230 0.80 NPC1 (0.56) RAB9ANPC1KMT2AP4HTMPOLB
SCHEMBL8811207 0.80 TP53 (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL8808773 0.80 MAPK1 (0.57) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL892704 0.80 HTT (0.54) RAB9ANPC1KMT2AP4HTMPOLB
SCHEMBL9842872 0.79 HDAC3 (0.59) RAB9ANPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL6799157 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL11427050 0.79 TRPV1 (0.56) RAB9ANPC1SMN1; SMN2TP53CYP1A2

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