SCHEMBL9842925

SCHEMBL9842925

Cc1cc(C)cc(-c2ccc(NC(=O)c3cnoc3)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CSF1R P07333 4/20 0.38
IL2 P60568 4/20 0.38
ADORA3 P0DMS8 3/20 0.36
CHRM5 P08912 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL9842957 0.92 CNR1 (0.45) CNR1TP53MAPTNFKB1NFKB2
SCHEMBL9843027 0.90 CNR1 (0.52) CNR1TP53MAPTNFKB1NFKB2
SCHEMBL9842919 0.89 CYP1A2 (0.42) CNR1TP53MAPTNFKB1NFKB2
SCHEMBL9842940 0.81 CNR1 (0.53) CNR1CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9843028 0.81 CNR1 (0.51) CNR1TP53MAPTSMN1; SMN2NPC1
SCHEMBL9842951 0.80 PRF1 (0.46) TP53MAPTNFKB1NFKB2RELA
SCHEMBL9842991 0.80 CNR1 (0.54) CNR1TP53MAPTSMN1; SMN2CYP1A2
SCHEMBL9842938 0.79 IL2 (0.39) CNR1TP53MAPTNFKB1NFKB2
SCHEMBL9842993 0.79 IL2 (0.48) CYP1A2MAPK1APOBEC3AAPOBEC3GNPC1
SCHEMBL9842960 0.76 KDR (0.42) CNR1MAPTSMN1; SMN2CYP1A2MAPK1

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