SCHEMBL4793709

SCHEMBL4793709

CN(C)CCCS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)NCc2ccc(C(F)(F)F)nc2)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.36
ITK Q08881 2/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 1/20 0.34
P2RX7 Q99572 7/20 0.34
RORC P51449 1/20 0.34
NAMPT P43490 1/20 0.34
MTTP P55157 1/20 0.34
GHSR Q92847 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL4881694 0.70 DGAT2 (0.40) DGAT2KMT2ATRPV1ITKHTT
SCHEMBL4771179 0.69 GAA (0.47) DGAT2NAMPT
SCHEMBL4773432 0.67 MEN1 (0.46) MEN1KMT2ATRPV1ITKP2RX7
SCHEMBL4772464 0.66 GAA (0.48) DGAT2NAMPT
SCHEMBL4777619 0.65 NAMPT (0.42) DGAT2TRPV1P2RX7NAMPT
SCHEMBL4773601 0.64 MAPT (0.39) DGAT2MEN1KMT2AHTTRORC
SCHEMBL4773435 0.64 ALDH1A1 (0.48) MEN1KMT2ATRPV1HTTP2RX7
SCHEMBL4776574 0.64 P2RX7 (0.42) DGAT2TRPV1P2RX7NAMPT
SCHEMBL4875601 0.64 NPC1 (0.50) HTT
SCHEMBL4776579 0.64 GAA (0.42) DGAT2HTTP2RX7

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed