SCHEMBL528613

SCHEMBL528613

CCOc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 3/20 0.52
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL529284 0.91 ALDH1A1 (0.56) MAPTKMT2ALMNAALDH1A1HPGD
SCHEMBL529245 0.90 MEN1 (0.52) MAPTMEN1KMT2AHSD17B10RXFP1
SCHEMBL528369 0.90 MEN1 (0.52) MAPTMEN1KMT2AHSD17B10RXFP1
SCHEMBL528702 0.88 MAPT (0.58) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL528349 0.88 RXFP1 (0.49) MAPTMEN1KMT2AHSD17B10RXFP1
SCHEMBL527894 0.88 RXFP1 (0.49) MAPTMEN1KMT2AHSD17B10RXFP1
SCHEMBL528572 0.86 RXFP1 (0.48) MAPTMEN1KMT2AHSD17B10RXFP1
SCHEMBL529051 0.85 MAPT (0.71) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL529639 0.85 MAPT (0.55) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL528851 0.85 RXFP1 (0.46) MAPTMEN1KMT2AHSD17B10RXFP1

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