SCHEMBL6862629

SCHEMBL6862629

O=c1cc(-c2ccccc2)c2cc(C(c3cccc(F)c3)n3ccnc3)ccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.75
FNTB P49356 1/20 0.75
CNR1 P21554 6/20 0.54
CYP17A1 P05093 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 2/20 0.48
NR1I2 O75469 1/20 0.48
USP2 O75604 1/20 0.48
ABCB11 O95342 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PLA2G1B P04054 1/20 0.48
TP53 P04637 1/20 0.48
PGR P06401 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
IDO1 P14902 1/20 0.48
HPGD P15428 1/20 0.48
MAOA P21397 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL6305490 0.92 FNTA (0.81) FNTAFNTBCNR1CYP17A1MEN1
SCHEMBL6866443 0.92 FNTA (0.88) FNTAFNTBCNR1CYP17A1MEN1
SCHEMBL6303535 0.86 FNTA (1.00) FNTAFNTBCNR1CYP17A1MEN1
SCHEMBL4156125 0.80 FNTA (0.85) FNTAFNTBCNR1MEN1KMT2A
SCHEMBL6866181 0.79 MEN1 (0.54) FNTAFNTBCNR1MEN1KMT2A
SCHEMBL6867235 0.79 MEN1 (0.58) FNTAFNTBCNR1MEN1KMT2A
SCHEMBL8916741 0.73 FNTA (0.60) FNTAFNTBCNR1CYP17A1MEN1
SCHEMBL9664150 0.72 CYP19A1 (0.51) FNTAFNTBCNR1CYP17A1MEN1
SCHEMBL9760006 0.72 FNTA (0.58) FNTAFNTBCNR1CYP17A1MEN1
SCHEMBL9665022 0.72 CYP19A1 (0.63) CNR1CYP17A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP disclosed
EP-1019395-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed