SCHEMBL529579

SCHEMBL529579

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2cccc(OC)c2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TP53 P04637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50

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
SCHEMBL527890 0.91 MAPT (0.62) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528399 0.89 MAPT (0.56) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528856 0.89 MAPT (0.49) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528238 0.89 MAPT (0.59) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL527900 0.88 MAPT (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL529032 0.88 MAPT (0.77) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528087 0.87 KMT2A (0.55) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528010 0.87 SMN1; SMN2 (0.52) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528111 0.87 MAPT (0.48) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528642 0.86 LMNA (0.48) MAPTLMNASMN1; SMN2L3MBTL1SIRT2

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