SCHEMBL528053

SCHEMBL528053

COc1ccc(Cl)cc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)C2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 6/20 0.55
HTT P42858 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.52
POLB P06746 1/20 0.52
AHR P35869 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.46
KCNMA1 Q12791 1/20 0.46
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL528272 0.91 MAPT (0.45) MAPTALDH1A1HTTNPSR1GAA
SCHEMBL528274 0.89 L3MBTL1 (0.47) MAPTALDH1A1HTTNPC1POLB
SCHEMBL528938 0.89 ALDH1A1 (0.59) MAPTALDH1A1HTTNPSR1GAA
SCHEMBL529461 0.86 MAPT (0.50) MAPTALDH1A1HTTNPC1LMNA
SCHEMBL527889 0.85 ALDH1A1 (0.58) MAPTALDH1A1HTTNPSR1GAA
SCHEMBL529438 0.82 MAPT (0.54) MAPTALDH1A1NPSR1NPC1POLB
SCHEMBL528572 0.80 RXFP1 (0.48) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL528332 0.80 ALDH1A1 (0.51) MAPTALDH1A1HTTNPSR1GAA
SCHEMBL528277 0.79 MAPT (0.62) MAPTALDH1A1HTTNPSR1GAA
SCHEMBL529458 0.79 MAPT (0.52) MAPTALDH1A1HTTNPSR1GAA

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