SCHEMBL528384

SCHEMBL528384

COc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RXFP1 Q9HBX9 2/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
MCL1 Q07820 1/20 0.41
LCK P06239 1/20 0.40

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
SCHEMBL528851 0.93 RXFP1 (0.46) MAPTRXFP1POLBTP53ALDH1A1
SCHEMBL528697 0.91 MAPT (0.42) OXTRMAPTSMN1; SMN2RXFP1TP53
SCHEMBL528332 0.90 ALDH1A1 (0.51) OXTRMAPTSMN1; SMN2POLBTP53
SCHEMBL527903 0.89 MAPT (0.52) OXTRMAPTSMN1; SMN2POLBTP53
SCHEMBL529354 0.86 MAPT (0.55) OXTRMAPTSMN1; SMN2POLBKDM4E
SCHEMBL528225 0.85 MAPT (0.46) OXTRTHRBMAPTSMN1; SMN2POLB
SCHEMBL529284 0.84 ALDH1A1 (0.56) THRBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL528468 0.83 L3MBTL1 (0.57) THRBMAPTSMN1; SMN2POLBTP53
SCHEMBL528514 0.82 L3MBTL1 (0.49) THRBMAPTSMN1; SMN2RXFP1POLB
SCHEMBL528549 0.82 MAPT (0.56) OXTRMAPTSMN1; SMN2TP53KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed