SCHEMBL8350535

SCHEMBL8350535

COc1cc(F)cc(NC(=O)Nc2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
TAAR1 Q96RJ0 1/20 0.65
ALDH1A1 P00352 6/20 0.62
HPGD P15428 1/20 0.62
AHR P35869 1/20 0.60
CYP1A2 P05177 2/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.53
HTT P42858 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL22926426 0.86 TAAR1 (0.80) KDM4ETAAR1ALDH1A1KMT2AMEN1
SCHEMBL4276324 0.86 TAAR1 (0.64) KDM4ETAAR1ALDH1A1CYP1A2KMT2A
SCHEMBL1446121 0.83 TAAR1 (0.54) KDM4ETAAR1ALDH1A1AHRCYP1A2
SCHEMBL29555874 0.82 MAPT (0.66) KDM4ETAAR1ALDH1A1KMT2AMEN1
SCHEMBL1446022 0.82 TAAR1 (0.53) KDM4ETAAR1ALDH1A1AHRCYP1A2
SCHEMBL1446421 0.81 TAAR1 (0.54) KDM4ETAAR1ALDH1A1AHRCYP1A2
SCHEMBL1447166 0.81 TAAR1 (0.54) KDM4ETAAR1ALDH1A1CYP1A2KMT2A
SCHEMBL1068667 0.81 CYP1A2 (0.53) KDM4ETAAR1ALDH1A1HPGDAHR
SCHEMBL22926673 0.79 TAAR1 (1.00) KDM4ETAAR1ALDH1A1CYP1A2KMT2A
SCHEMBL1446136 0.79 TAAR1 (0.52) KDM4ETAAR1ALDH1A1AHRCYP1A2

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-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 WO disclosed