SCHEMBL6861981

SCHEMBL6861981

COCCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
FNTA P49354 7/20 0.41
FNTB P49356 7/20 0.41
PTGER4 P35408 5/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL6869864 0.83 FNTA (0.49) ALDH1A1KDM4EFNTAFNTBPTGER4
SCHEMBL1538260 0.83 FNTA (0.56) ALDH1A1FNTAFNTBCYP3A4HSD17B10
SCHEMBL30419724 0.83 FNTA (0.56) ALDH1A1FNTAFNTBCYP3A4HSD17B10
SCHEMBL6872833 0.82 FNTA (0.49) ALDH1A1FNTAFNTBPTGER4CYP1A2
SCHEMBL6164984 0.81 BRD4 (0.44) FNTAFNTB
SCHEMBL5509068 0.77 MAPT (0.46) FNTAFNTBCYP3A4HSD17B10CNR1
SCHEMBL5657960 0.76 FNTA (0.48) ALDH1A1FNTAFNTBHSD17B10KMT2A
Oxalic Acid SCHEMBL7701815 0.76 FNTA (0.49) FNTAFNTBCYP1A2CYP3A4CNR1
SCHEMBL6862062 0.76 FNTA (0.43) ALDH1A1LMNAFNTAFNTBCYP3A4
SCHEMBL4144550 0.75 FNTA (0.51) FNTAFNTBCYP1A2CYP3A4CNR1

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