SCHEMBL11068175

SCHEMBL11068175

CCOc1ccc(N(c2ccccc2)C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
PLA2G2A P14555 2/20 0.35
TP53 P04637 2/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL11068054 0.94 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2AMEN1TP53
SCHEMBL11062542 0.94 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL11068376 0.93 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKMT2AHTTL3MBTL1
SCHEMBL11065441 0.93 SMN1; SMN2 (0.37) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL11065443 0.92 PLA2G2A (0.37) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL11062617 0.90 SMN1; SMN2 (0.38) SMN1; SMN2MAPTTP53PTGER4ALDH1A1
SCHEMBL11072094 0.90 PLA2G2A (0.37) SMN1; SMN2PLA2G2A
SCHEMBL3873669 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTGAAHTTTP53
SCHEMBL11083992 0.88 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL11066294 0.87 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKMT2AMEN1GAA

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
US-4431819-A PRESSURE AND HEAT SENSITIVE ELEMENTS; CARBONLESS COPYING; HECTOGRAPHY; XERORAPHY STERLING DRUG INC. (US) 1984-02-14 US claimed