SCHEMBL9842822

SCHEMBL9842822

CC(C)(C)c1ccc(-c2ccc(NC(=O)c3cnoc3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DGAT1 O75907 1/20 0.41
KDR P35968 1/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GRIN2C Q14957 1/20 0.39
IL2 P60568 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL9842993 0.88 IL2 (0.48) NPC1RAB9ACYP1A2MAPK1APOBEC3A
SCHEMBL9842919 0.87 CYP1A2 (0.42) NPC1RAB9AALDH1A1RXFP1HPGD
SCHEMBL9842940 0.84 CNR1 (0.53) CYP1A2MAPK1APOBEC3AAPOBEC3GIL2
SCHEMBL9843028 0.84 CNR1 (0.51) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL9843027 0.83 CNR1 (0.52) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL9842938 0.81 IL2 (0.39) NPC1RAB9AKDRCYP1A2MAPK1
SCHEMBL9842925 0.81 CNR1 (0.39) NPC1RAB9ACYP1A2MAPK1APOBEC3A
SCHEMBL9842892 0.81 HDAC6 (0.44) IL2
SCHEMBL9842991 0.80 CNR1 (0.54) NPC1RAB9AALDH1A1CYP1A2MAPK1
SCHEMBL9842960 0.79 KDR (0.42) NPC1RAB9AALDH1A1KMT2AMEN1

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