SCHEMBL529422

SCHEMBL529422

COc1cccc(C(=O)Nc2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 2/20 0.45
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL528261 0.93 MAPK1 (0.58) L3MBTL1MAPTALDH1A1MAPK1KDM4E
SCHEMBL528632 0.86 ALDH1A1 (0.51) SMN1; SMN2L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL529458 0.86 MAPT (0.52) NPC1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL528847 0.86 MEN1 (0.55) SMN1; SMN2L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL528474 0.85 KCNK3 (0.53) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL528567 0.84 KCNK3 (0.54) L3MBTL1MAPTALDH1A1MAPK1KDM4E
SCHEMBL528522 0.83 MEN1 (0.52) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL528468 0.83 L3MBTL1 (0.57) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL528589 0.83 MEN1 (0.52) SMN1; SMN2L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL529102 0.83 MAPT (0.55) SMN1; SMN2MAPTALDH1A1KDM4EKMT2A

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