SCHEMBL6869878

SCHEMBL6869878

COC(=O)C(CC(C)C)NCC(=O)n1c(=O)cc(-c2ccccc2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
CNR1 P21554 5/20 0.41
CYP19A1 P11511 7/20 0.40
CYP3A4 P08684 3/20 0.37
CYP26A1 O43174 2/20 0.36
CYP17A1 P05093 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
TP53 P04637 1/20 0.35
PGR P06401 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL6867606 0.76 FNTA (0.67) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL6869798 0.76 FNTA (0.61) FNTAFNTBCNR1CYP19A1CYP3A4
Nitric Acid SCHEMBL6867244 0.73 FNTA (0.59) FNTAFNTBCNR1CYP19A1CYP3A4
Oxalic Acid SCHEMBL7701815 0.72 FNTA (0.49) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL6868055 0.70 FNTA (0.63) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL4144550 0.70 FNTA (0.51) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL8473920 0.68 FNTA (0.50) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL6303535 0.68 FNTA (1.00) FNTAFNTBCNR1CYP19A1CYP3A4
SCHEMBL6310693 0.67 FNTA (0.67) FNTAFNTBCNR1CYP19A1CYP3A4
Odalprofen SCHEMBL2111511 0.66 CYP19A1 (0.57) CNR1CYP19A1CYP3A4CYP26A1CYP17A1

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 4 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
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed