SCHEMBL1600947

SCHEMBL1600947

COc1ccc(C(C)(C)C)cc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
NPC1 O15118 2/20 0.71
MAPK14 Q16539 1/20 0.56
NR1H4 Q96RI1 3/20 0.56
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
CFTR P13569 4/20 0.55
GFER P55789 1/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
SRC P12931 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADRB3 P13945 1/20 0.50
TBXA2R P21731 1/20 0.50

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
SCHEMBL396865 0.93 CFTR (0.66) MEN1KMT2ANPC1MAPK14NR1H4
SCHEMBL1600113 0.79 FLT3 (0.56) NPC1MAPK14MAPTKDM4EALDH1A1
SCHEMBL92372 0.78 MEN1 (0.76) MEN1KMT2ANPC1CFTRGFER
SCHEMBL399067 0.78 MEN1 (0.64) MEN1KMT2ANPC1CFTRADORA3
SCHEMBL92355 0.78 KMT2A (0.67) MEN1KMT2ANPC1CFTRGFER
SCHEMBL7237292 0.77 MEN1 (0.74) MEN1KMT2ANPC1CFTRGFER
SCHEMBL396908 0.77 MEN1 (0.54) MEN1KMT2ANPC1CFTRMAPT
SCHEMBL12368183 0.76 MEN1 (0.64) MEN1KMT2ANPC1MAPK14NR1H4
SCHEMBL11998126 0.76 CFTR (0.73) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL399216 0.75 MEN1 (0.83) MEN1KMT2ANPC1CFTRGFER

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
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed