SCHEMBL7147632

SCHEMBL7147632

CCOC(OCC)c1ccc(C(O)c2ccc3nc(Cl)cc(-c4cccc(Cl)c4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.38
MAP4K4 O95819 4/20 0.36
CNR2 P34972 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
ADORA1 P30542 2/20 0.34
NR1I3 Q14994 1/20 0.33
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
AVPR1A P37288 1/20 0.33
KMT2A Q03164 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5654539 0.85 LTB4R (0.40) LTB4RMAP4K4ADORA1NR1I3FFAR1
SCHEMBL5656213 0.75 LTB4R (0.42) LTB4RCNR2AURKAAURKBADORA1
SCHEMBL12590510 0.73 FNTA (0.40) FNTAFNTB
SCHEMBL12590507 0.72 FNTA (0.43) FNTAFNTB
SCHEMBL1757804 0.71 MEN1 (0.54) LTB4RAURKAAURKBADORA1MEN1
SCHEMBL6010423 0.70 LTB4R (0.38) LTB4RCNR2AURKAAURKBNR1I3
SCHEMBL7166191 0.70 RORC (0.42) FNTAFNTB
SCHEMBL5545656 0.68 LTB4R (0.38) LTB4RCNR2AURKAAURKBNR1I3
SCHEMBL5657044 0.67 AURKA (0.35) LTB4RCNR2AURKAAURKBNR1I3
SCHEMBL6009561 0.67 FNTA (0.49) FNTAFNTB

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-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed