SCHEMBL528660

SCHEMBL528660

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CASP3 P42574 1/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL527894 0.91 RXFP1 (0.49) MAPTSMN1; SMN2KCNK3KCNK9KMT2A
SCHEMBL529290 0.90 MAPT (0.46) L3MBTL1MAPTSMN1; SMN2KMT2APOLB
SCHEMBL528468 0.90 L3MBTL1 (0.57) L3MBTL1THRBMAPTSMN1; SMN2KCNK3
SCHEMBL528331 0.89 FFAR1 (0.49) MAPTSMN1; SMN2KMT2APOLBHTT
SCHEMBL529518 0.89 MAPT (0.46) L3MBTL1MAPTSMN1; SMN2KCNK3KCNK9
SCHEMBL528514 0.89 L3MBTL1 (0.49) L3MBTL1THRBMAPTSMN1; SMN2KCNK3
SCHEMBL527865 0.88 SMO (0.47) MAPTSMN1; SMN2KMT2APOLBKDM4E
SCHEMBL529284 0.87 ALDH1A1 (0.56) L3MBTL1THRBMAPTSMN1; SMN2KMT2A
SCHEMBL529592 0.87 MAPT (0.55) MAPTSMN1; SMN2KMT2APOLBKDM4E
SCHEMBL528274 0.85 L3MBTL1 (0.47) L3MBTL1THRBMAPTSMN1; SMN2KCNK3

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