SCHEMBL9178120

SCHEMBL9178120

CCOC(=O)C(C#N)=C(Nc1ccc(N(CC)CC)cc1)SC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 8/20 0.48
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
NOX1 Q9Y5S8 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MCL1 Q07820 1/20 0.42
RECQL P46063 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL9178115 1.00 TP53 (0.54) TP53TSHRL3MBTL1MAPTNPY1R
SCHEMBL7488989 0.85 TP53 (0.55) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL7488984 0.85 TP53 (0.55) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL8327933 0.85 TP53 (0.55) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL8562162 0.85 TP53 (0.55) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL7497190 0.84 TP53 (0.61) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL7497183 0.84 TP53 (0.61) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL11442173 0.81 TP53 (0.52) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL11442176 0.81 TP53 (0.52) TP53TSHRL3MBTL1MAPTMEN1
SCHEMBL26188640 0.76 MAPT (0.47) TSHRL3MBTL1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468750-A Antiinflammatory agents and autoimmune diseases ELF SANOFI (FR) 1995-11-21 US disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 US disclosed