SCHEMBL7168166

SCHEMBL7168166

COc1nc2ccc(C(O)c3nnc(S)n3C)cc2c(-c2cccc(Cl)c2)c1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.38
NR1I3 Q14994 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
FABP3 P05413 3/20 0.33
FABP4 P15090 3/20 0.33
FABP5 Q01469 2/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G2A P14555 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
SCHEMBL7087587 0.89 FABP3 (0.39) RORCFNTAFNTBFABP3FABP4
SCHEMBL7191222 0.86 FNTA (0.45) RORCNR1I3FNTAFNTBFABP3
SCHEMBL7166191 0.73 RORC (0.42) RORCFNTAFNTB
SCHEMBL7090215 0.69 FNTA (0.48) RORCFNTAFNTB
SCHEMBL7093338 0.68 MAPT (0.38) FNTAFNTBFABP3FABP4FABP5
SCHEMBL7094552 0.66 IDO1 (0.48) RORCFNTAFNTBFABP3FABP4
SCHEMBL6987223 0.66 IDO1 (0.48) RORCFNTAFNTBFABP3FABP4
SCHEMBL7088398 0.66 FNTA (0.47) FNTAFNTBFABP3FABP4FABP5
SCHEMBL7093092 0.65 FNTA (0.44) RORCFNTAFNTB
SCHEMBL14588478 0.64 FNTA (0.75) FNTAFNTB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed