SCHEMBL13981968

SCHEMBL13981968

COC(=O)c1ccc(NCc2cccc(N)c2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.48
▸ PPM1D O15297 2/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ XDH P47989 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ HIF1A Q16665 1/20 0.46
▸ EGFR P00533 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42

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
SCHEMBL13981982 0.86 MRGPRX4 (0.55) PPM1DHIF1AHPGDGAAMAPT
SCHEMBL8037982 0.77 KDM4E (0.54) LOXL2PPM1DCA1CA2HIF1A
SCHEMBL31072837 0.77 HDAC8 (0.57) HIF1AHPGDGAAMAPTERAP2
SCHEMBL15687652 0.76 CA1 (0.61) LOXL2PPM1DCA1CA2HIF1A
SCHEMBL14420824 0.75 LOXL2 (0.58) LOXL2PPM1DCA1CA2HIF1A
SCHEMBL3566972 0.74 LOXL2 (0.58) LOXL2CA1CA2HIF1AHPGD
SCHEMBL1180032 0.74 LOXL2 (0.53) LOXL2PPM1DHIF1ALMNAHPGD
SCHEMBL31237125 0.74 MRGPRX4 (0.57) LOXL2PPM1DHIF1ACYP4F2CYP4A11
SCHEMBL23286785 0.74 CA1 (0.61) LOXL2CA1CA2HIF1AHPGD
SCHEMBL22469948 0.73 MRGPRX4 (0.74) LOXL2PPM1DHIF1AHPGDCYP4F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 — — WO disclosed
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