SCHEMBL9842945

SCHEMBL9842945

O=C(Nc1ccc(-c2ccccc2O)s1)c1cnoc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.38
HSD17B1 P14061 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 2/20 0.37
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SELL P14151 4/20 0.35
SELP P16109 4/20 0.35
SELE P16581 2/20 0.35
RNASEH1 O60930 1/20 0.34
IL2 P60568 3/20 0.34

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
SCHEMBL9842919 0.77 CYP1A2 (0.42) HSD17B2HSD17B1NPC1TP53MAPT
SCHEMBL9842940 0.77 CNR1 (0.53) CNR1CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9842925 0.76 CNR1 (0.39) NPC1TP53MAPTNFKB1RAB9A
SCHEMBL9843027 0.75 CNR1 (0.52) HSD17B2HSD17B1NPC1TP53MAPT
SCHEMBL9842959 0.74 NPC1 (0.54) NPC1TP53RAB9AMEN1KMT2A
SCHEMBL9842993 0.74 IL2 (0.48) NPC1RAB9ACYP1A2MAPK1APOBEC3A
SCHEMBL9843028 0.74 CNR1 (0.51) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL9842938 0.74 IL2 (0.39) NPC1TP53MAPTNFKB1RAB9A
SCHEMBL9842991 0.73 CNR1 (0.54) HSD17B2HSD17B1NPC1TP53MAPT
SCHEMBL9842957 0.71 CNR1 (0.45) NPC1TP53MAPTNFKB1RAB9A

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