SCHEMBL8401935

SCHEMBL8401935

COc1ccccc1C(=O)c1cc(F)c(C)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L11 O43521 1/20 0.48
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
CNR2 P34972 1/20 0.45
BRPF1 P55201 3/20 0.44
BRD4 O60885 1/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CTSD P07339 1/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8399955 0.79 RORC (0.43) BCL2L11BCL2L1SMN1; SMN2CNR2GAA
SCHEMBL15100553 0.78 MAPT (0.47) SMN1; SMN2NPC1CNR2GAALMNA
SCHEMBL8403980 0.74 CA1 (0.45) GAALMNAHTTMEN1KMT2A
SCHEMBL322168 0.74 CTSD (0.62) SMN1; SMN2NPC1CNR2RAB9ALMNA
SCHEMBL29658169 0.74 CTSD (0.62) SMN1; SMN2NPC1CNR2RAB9ALMNA
SCHEMBL13931838 0.73 L3MBTL1 (0.63) BCL2L11BCL2L1MCL1SMN1; SMN2GAA
SCHEMBL8182920 0.73 MAPK14 (0.56) SMN1; SMN2NPC1CNR2RAB9AGAA
SCHEMBL27789892 0.72 CTSD (0.60) SMN1; SMN2NPC1CNR2RAB9ALMNA
SCHEMBL8174964 0.71 SMN1; SMN2 (0.58) SMN1; SMN2NPC1CNR2RAB9AGAA
SCHEMBL29262352 0.71 LMNA (0.55) SMN1; SMN2NPC1RAB9AGAALMNA

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
US-5952368-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 1999-09-14 US disclosed