SCHEMBL9017582

SCHEMBL9017582

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.52
STK39 Q9UEW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
G6PD P11413 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
PNLIP P16233 3/20 0.41
BRAF P15056 3/20 0.40
KDR P35968 3/20 0.40
PLA2G7 Q13093 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9017556 0.96 DHODH (0.49) DHODHSTK39MEN1KMT2AG6PD
SCHEMBL9017547 0.86 DHODH (0.61) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL9017569 0.84 DHODH (0.54) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL9017561 0.82 DHODH (0.61) DHODHMEN1KMT2APNLIPHDAC3
SCHEMBL9017532 0.81 DHODH (0.55) DHODHMEN1KMT2AHDAC3HDAC1
SCHEMBL9017598 0.80 DHODH (0.43) DHODHBRAFKDRMAPT
SCHEMBL9017570 0.80 DHODH (0.61) DHODHMEN1KMT2AHDAC3HDAC1
SCHEMBL8857721 0.80 DHODH (0.49) DHODHMEN1KMT2ATP53NPC1
SCHEMBL9157076 0.79 DHODH (0.64) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL15196662 0.78 DHODH (0.62) DHODHMEN1KMT2ATP53NPC1

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 3 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-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