SCHEMBL2852635

SCHEMBL2852635

O=C(NCc1cccnc1)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
NAMPT P43490 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
MCHR1 Q99705 1/20 0.39
SORT1 Q99523 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2857357 0.87 HTT (0.46) EPHX1NAMPTMEN1KMT2AMAPK1
SCHEMBL2853347 0.87 TRPV1 (0.41)
SCHEMBL2854852 0.85 ABCB1 (0.49) EPHX1NAMPTMEN1KMT2AMCHR1
SCHEMBL2855714 0.84 EPHX1 (0.45) EPHX1NAMPTMEN1KMT2AMAPK1
SCHEMBL2861682 0.81 ALDH1A1 (0.48) MEN1KMT2AMAPK1
SCHEMBL2859504 0.80 TAAR1 (0.43) MEN1KMT2ANPC1
SCHEMBL2852553 0.80 MALT1 (0.40) MEN1KMT2ANPC1NPSR1
SCHEMBL2854467 0.80 MAPT (0.36)
SCHEMBL2860435 0.80 NAMPT (0.46) EPHX1NAMPTKMT2AMAPK1NPC1
SCHEMBL2850252 0.79 TRPV1 (0.40)

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed