SCHEMBL9017556

SCHEMBL9017556

Cc1cc(NC(=O)C(C#N)=C(O)C2CC2)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.49
STK39 Q9UEW8 1/20 0.44
PNLIP P16233 4/20 0.44
BRAF P15056 4/20 0.42
KDR P35968 4/20 0.42
MEN1 O00255 1/20 0.42
G6PD P11413 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KMT2A Q03164 1/20 0.42
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G7 Q13093 1/20 0.39
PARG Q86W56 1/20 0.39
MET P08581 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9017582 0.96 DHODH (0.52) DHODHSTK39PNLIPBRAFKDR
SCHEMBL9017547 0.86 DHODH (0.61) DHODHPNLIPMEN1G6PDCACNA1B
SCHEMBL9017569 0.82 DHODH (0.54) DHODHBRAFKDRMEN1G6PD
SCHEMBL9017598 0.82 DHODH (0.43) DHODHBRAFKDRMAPT
SCHEMBL15196662 0.80 DHODH (0.62) DHODHMEN1KMT2AMAPTTP53
SCHEMBL9017561 0.80 DHODH (0.61) DHODHPNLIPMEN1KMT2AMAPT
SCHEMBL9017532 0.78 DHODH (0.55) DHODHMEN1KMT2AMAPT
SCHEMBL9155031 0.78 DHODH (0.45) DHODHPNLIPMEN1G6PDCACNA1B
SCHEMBL8857721 0.77 DHODH (0.49) DHODHMEN1KMT2AMAPTTP53
SCHEMBL9017570 0.77 DHODH (0.61) DHODHMEN1KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533573-B1 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1996-12-04 EP disclosed
US-5389652-A Antiinflammatory agent ROUSSEL-UCLAF (FR) 1995-02-14 US disclosed
US-5312830-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-05-17 US disclosed
EP-0533573-A2 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1993-03-24 EP disclosed