SCHEMBL9842863

SCHEMBL9842863

O=C(Nc1ccc(-c2ccc(Cl)c(Cl)c2Cl)s1)c1cnoc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.36
ALPL P05186 2/20 0.32
RORC P51449 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
CSF1R P07333 2/20 0.31
IL2 P60568 2/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL9842940 0.80 CNR1 (0.53) CNR1IL2
SCHEMBL9842883 0.79 CNR1 (0.52) CNR1IL2
SCHEMBL9842945 0.79 HSD17B2 (0.38) CNR1NPC1RAB9ATP53MAPT
SCHEMBL9842919 0.75 CYP1A2 (0.42) CNR1NPC1RAB9ATP53MAPT
SCHEMBL9842957 0.74 CNR1 (0.45) CNR1NPC1RAB9ATP53MAPT
SCHEMBL9842925 0.74 CNR1 (0.39) CNR1NPC1RAB9ATP53MAPT
SCHEMBL9842822 0.72 NPC1 (0.43) NPC1RAB9ATP53MAPTNFKB1
SCHEMBL9842938 0.72 IL2 (0.39) CNR1NPC1RAB9ATP53MAPT
SCHEMBL9843027 0.71 CNR1 (0.52) CNR1RORCNPC1RAB9ATP53
SCHEMBL9842892 0.70 HDAC6 (0.44) IL2

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