SCHEMBL748939

SCHEMBL748939

N#CC1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PRCP P42785 8/20 0.38
PTGES O14684 1/20 0.37
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
F11 P03951 2/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL12492101 0.90 PRCP (0.38) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL204280 0.85 HPGDS (0.42) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL2707959 0.85 HPGDS (0.42) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL2756981 0.85 HPGDS (0.42) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL2590140 0.84 PRCP (0.43) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL1314945 0.84 CYP2C9 (0.43) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL12098861 0.84 CYP2C9 (0.50) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL19339809 0.82 PRCP (0.40) MAPK13MAPK12MAPK11MAPK14PRCP
SCHEMBL2756969 0.80 CYP3A4 (0.61) NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL205945 0.80 CYP3A4 (0.61) NR1I2ABCB11CYP3A4CYP2C9OPRK1

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed