SCHEMBL6937489

SCHEMBL6937489

CC(=O)Nc1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
DYRK1A Q13627 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTPN5 P54829 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
KIF11 P52732 1/20 0.46
TSHR P16473 2/20 0.44
TOP2A P11388 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL18922385 0.85 MEN1 (0.45) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL6937486 0.84 MEN1 (0.47) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL29953129 0.81 RXFP1 (0.51) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL28573399 0.81 P2RX1 (0.56) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL11323055 0.79 GRIK1 (0.62) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL5166111 0.79 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL30977684 0.79 MEN1 (0.60) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL4228884 0.79 MEN1 (0.75) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL20766369 0.79 DYRK1A (0.48) CYP2C19DYRK1AALDH1A1MEN1KMT2A
SCHEMBL12126017 0.79 MEN1 (0.60) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125941-B1 Derivatives of 6-sulfamoyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-09 EP disclosed
EP-1125942-B1 Derivatives of 6-amino or 6-hydrazinosulfonyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-09 EP disclosed
EP-1125940-B1 Derivatives of aryl or heteroaryl quinolinylphosphonic acids, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-15 EP disclosed
EP-1125942-A1 Derivatives of 6-amino or 6-hydrazinosulfonyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-22 EP disclosed
EP-1125940-A1 Derivatives of aryl or heteroaryl quinolinylphosphonic acids, process for their preparation and pharmaceutical compositions containing them Adir Et Cie (FR) 2001-08-22 EP disclosed
EP-1125941-A1 Derivatives of 6-sulfamoyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-22 EP disclosed