SCHEMBL6870980

SCHEMBL6870980

O=c1cc(-c2cccc(Cl)c2)c2cccc(C(c3ccc(Cl)cc3)n3ccnc3)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.60
FNTB P49356 2/20 0.60
CYP19A1 P11511 11/20 0.47
CNR1 P21554 4/20 0.47
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP26A1 O43174 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP24A1 Q07973 1/20 0.41
CYP26B1 Q9NR63 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
SCHEMBL4156125 0.83 FNTA (0.85) FNTAFNTBCYP19A1CNR1CYP3A4
SCHEMBL6870078 0.81 CYP19A1 (0.50) FNTAFNTBCYP19A1CYP3A4CYP2D6
SCHEMBL6303535 0.75 FNTA (1.00) FNTAFNTBCYP19A1CNR1CYP3A4
SCHEMBL6868055 0.74 FNTA (0.63) FNTAFNTBCYP19A1CNR1CYP3A4
Water SCHEMBL6866083 0.74 FNTA (0.67) FNTAFNTBCYP19A1CNR1CYP3A4
SCHEMBL5164053 0.74 FNTA (0.46) FNTAFNTBCYP19A1CYP3A4CYP2D6
SCHEMBL5561624 0.73 FNTA (0.66) FNTAFNTBCYP19A1CNR1CYP3A4
SCHEMBL3521134 0.72 FNTA (0.56) FNTAFNTBCYP19A1CNR1CYP3A4
SCHEMBL7210122 0.70 FNTA (0.54) FNTAFNTBCYP19A1CNR1CYP3A4
SCHEMBL4144550 0.69 FNTA (0.51) FNTAFNTBCYP19A1CNR1CYP3A4

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-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP claimed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP claimed