SCHEMBL9017569

SCHEMBL9017569

Cc1cc(Oc2ccc(NC(=O)C(C#N)=C(O)C3CC3)cc2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.54
PLA2G7 Q13093 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KDR P35968 9/20 0.41
BRAF P15056 6/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
G6PD P11413 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9017547 0.86 DHODH (0.61) DHODHALDH1A1MAPTMEN1G6PD
SCHEMBL9017561 0.86 DHODH (0.61) DHODHMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL9017582 0.84 DHODH (0.52) DHODHPLA2G7KDRBRAFMAPT
SCHEMBL9017570 0.83 DHODH (0.61) DHODHMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL9017598 0.83 DHODH (0.43) DHODHKDRBRAFALDH1A1MAPT
SCHEMBL9157076 0.83 DHODH (0.64) DHODHMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL9017532 0.82 DHODH (0.55) DHODHMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL9017556 0.82 DHODH (0.49) DHODHPLA2G7KDRBRAFMAPT
SCHEMBL9017576 0.81 DHODH (0.69) DHODHMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL9017543 0.81 DHODH (0.65) DHODHALDH1A1MAPTMEN1KMT2A

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