SCHEMBL4900962

SCHEMBL4900962

CCc1ccc(NC(=O)Nc2cccc(CCCN3CCN(C(=O)OC)CC3)c2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR3 P51677 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
EPHX2 P34913 5/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL401118 0.90 DDX3X (0.42) DDX3XCCR3ALDH1A1EPHX2HRH3
SCHEMBL401741 0.86 ALDH1A1 (0.43) DDX3XSMN1; SMN2KMT2AALDH1A1
SCHEMBL399571 0.85 EPHX2 (0.47) HTTMEN1KMT2ACCR3NPC1
SCHEMBL3188110 0.83 RORC (0.43) DDX3XHTTSMN1; SMN2MEN1PABPC1
SCHEMBL402606 0.83 EPHX2 (0.46) DDX3XSMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL460041 0.82 DDX3X (0.43) DDX3XCCR3EPHX2
SCHEMBL400356 0.82 RORC (0.44) HTTSMN1; SMN2MEN1PABPC1KMT2A
SCHEMBL3201705 0.82 RORC (0.42) DDX3XHTTSMN1; SMN2MEN1PABPC1
SCHEMBL3199702 0.82 DDX3X (0.43) DDX3XSMN1; SMN2CCR3NPC1RAB9A
SCHEMBL3212233 0.82 NPC1 (0.45) HTTSMN1; SMN2MEN1PABPC1KMT2A

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-1959738-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed