SCHEMBL528369

SCHEMBL528369

CCOc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 3/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL529245 0.93 MEN1 (0.52) MEN1KMT2AHSD17B10RXFP1ALDH1A1
SCHEMBL528474 0.91 KCNK3 (0.53) MEN1KMT2ARXFP1ALDH1A1RAB9A
SCHEMBL528468 0.90 L3MBTL1 (0.57) KMT2AALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL528613 0.90 MAPT (0.54) MEN1KMT2AHSD17B10RXFP1ALDH1A1
SCHEMBL527894 0.90 RXFP1 (0.49) MEN1KMT2AHSD17B10RXFP1ALDH1A1
SCHEMBL528349 0.90 RXFP1 (0.49) MEN1KMT2AHSD17B10RXFP1ALDH1A1
SCHEMBL528572 0.88 RXFP1 (0.48) MEN1KMT2AHSD17B10RXFP1ALDH1A1
SCHEMBL529394 0.88 LMNA (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL528200 0.87 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL528658 0.84 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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