SCHEMBL9842938

SCHEMBL9842938

O=C(Nc1ccc(-c2ccc(C(F)F)cc2)s1)c1cnoc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.39
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CNR1 P21554 8/20 0.36
PTPN11 Q06124 2/20 0.34
KDR P35968 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.33
SCD O00767 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL9842960 0.85 KDR (0.42) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9842919 0.84 CYP1A2 (0.42) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9842940 0.84 CNR1 (0.53) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9842993 0.84 IL2 (0.48) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9843028 0.81 CNR1 (0.51) CNR1NPC1TP53MAPTRAB9A
SCHEMBL9842925 0.79 CNR1 (0.39) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9842883 0.79 CNR1 (0.52) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9843027 0.78 CNR1 (0.52) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9842991 0.76 CNR1 (0.54) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G
SCHEMBL9842957 0.74 CNR1 (0.45) IL2CYP1A2MAPK1APOBEC3AAPOBEC3G

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