SCHEMBL4057959

SCHEMBL4057959

Cn1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)nc1OC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.51
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
FPR2 P25090 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NTRK1 P04629 1/20 0.42
HSPA9 P38646 1/20 0.42
MTOR P42345 2/20 0.41
FLT3 P36888 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
BAZ1A Q9NRL2 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL2570394 0.88 EPHX2 (0.58) EPHX2RAB9ANPC1HSPA9
SCHEMBL2570538 0.84 MEN1 (0.45) EPHX2RAB9ANPC1MAPTMEN1
SCHEMBL13654290 0.82 EPHX2 (0.52) EPHX2RAB9ANPC1MAPTMEN1
SCHEMBL1595003 0.82 EPHX2 (0.55) EPHX2RAB9ANPC1MAPTMEN1
SCHEMBL4069869 0.82 MAPT (0.44) EPHX2RAB9ANPC1MAPTMEN1
SCHEMBL2565355 0.80 EPHX2 (0.48) EPHX2RAB9ANPC1MAPTKMT2A
SCHEMBL2569997 0.80 MAPT (0.48) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6673563 0.78 MTTP (0.47) KMT2A
SCHEMBL2571142 0.76 EPHX2 (0.54) EPHX2RAB9ANPC1MAPTKMT2A
SCHEMBL2568013 0.75 EPHX2 (0.52) EPHX2RAB9ANPC1MAPTHSPA9

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
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed