SCHEMBL528238

SCHEMBL528238

COc1cccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)C(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
PKM P14618 1/20 0.48

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 0.90 MAPT (0.62) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL528329 0.90 MAPT (0.47) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529579 0.89 MAPT (0.61) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529437 0.89 MAPT (0.58) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL528124 0.88 KMT2A (0.53) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL528931 0.87 MAPT (0.47) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529226 0.87 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529032 0.86 MAPT (0.77) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL528568 0.86 CCR2 (0.47) MAPTLMNASMN1; SMN2L3MBTL1POLB
SCHEMBL529518 0.85 MAPT (0.46) MAPTLMNASMN1; SMN2NPC1MEN1

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