SCHEMBL6440137

SCHEMBL6440137

CNC(=O)c1ccc(OCF)c(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.70
SMPD1 P17405 3/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL20909473 0.88 SMPD1 (0.81) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL24077087 0.88 SMPD1 (0.72) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL8512056 0.85 BRD4 (0.64) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL8538875 0.80 BRD4 (0.58) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL20626053 0.80 BRD4 (0.54) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL3245222 0.79 SMPD1 (0.67) SMPD1HDAC1HDAC8HDAC6MEN1
SCHEMBL3123036 0.79 MAOB (0.64) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL16004812 0.79 MEN1 (0.64) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL1600077 0.78 MRGPRX4 (0.62) SMPD1HDAC1HDAC8HDAC6MEN1
SCHEMBL29556736 0.78 MRGPRX4 (0.62) SMPD1HDAC1HDAC8HDAC6MEN1

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-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 WO disclosed