SCHEMBL1600113

SCHEMBL1600113

COc1ccc(C(C)(C)C)cc1NC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.56
CDK2 P24941 2/20 0.56
MAPK14 Q16539 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.53
RAC1 P63000 1/20 0.53
EPHB3 P54753 1/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR1I2 O75469 1/20 0.52
CCNA2 P20248 1/20 0.51
CCNA1 P78396 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL951232 0.84 EPHB3 (0.66) FLT3CDK2KDM4EALDH1A1HPGD
SCHEMBL1600051 0.80 MAPK14 (0.60) FLT3CDK2MAPK14KDM4ERAC1
SCHEMBL1600947 0.79 MEN1 (0.71) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4519232 0.77 FLT3 (0.57) FLT3CDK2KDM4EALDH1A1MAPT
SCHEMBL396865 0.77 CFTR (0.66) MAPK14NPC1L3MBTL1
SCHEMBL4524085 0.76 FLT3 (0.83) FLT3CDK2KDM4EALDH1A1MAPT
SCHEMBL903579 0.73 MAPK14 (0.62) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL954628 0.72 EPHB3 (0.71) FLT3CDK2KDM4EEPHB3CCNA2
SCHEMBL7846799 0.72 SMN1; SMN2 (0.60) FLT3CDK2KDM4EALDH1A1NPC1
SCHEMBL4555728 0.72 FLT3 (0.55) FLT3CDK2KDM4EALDH1A1RAC1

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