SCHEMBL6870737

SCHEMBL6870737

CCCOc1cccc(-c2cc(=O)n(C)c3ccc(C(O)c4ccc(Cl)cc4)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.50
FNTB P49356 7/20 0.50
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
CYP3A4 P08684 1/20 0.39
BACE1 P56817 1/20 0.38
NTRK1 P04629 1/20 0.38
ERN1 O75460 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 1/20 0.37
CASR P41180 1/20 0.37

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
SCHEMBL6871215 0.90 FNTA (0.51) FNTAFNTBSMARCA2SMARCA4BRD9
SCHEMBL6862062 0.84 FNTA (0.43) FNTAFNTBSMARCA2SMARCA4BRD9
SCHEMBL8473920 0.82 FNTA (0.50) FNTAFNTBCYP3A4CNR1
SCHEMBL6869864 0.76 FNTA (0.49) FNTAFNTBCYP3A4HSD17B10CNR1
SCHEMBL4280884 0.76 FNTA (0.78) FNTAFNTBCYP3A4
Hydrochloric Acid SCHEMBL5737634 0.75 FNTA (0.77) FNTAFNTBCYP3A4
Water SCHEMBL7172972 0.75 FNTA (0.77) FNTAFNTBCYP3A4
Hydrochloric Acid SCHEMBL1683542 0.74 FNTA (0.76) FNTAFNTBCYP3A4
SCHEMBL27251471 0.72 FNTA (0.66) FNTAFNTBCYP3A4HSD17B10CNR1
SCHEMBL14588476 0.72 FNTA (0.64) FNTAFNTBCYP3A4HSD17B10

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