SCHEMBL6937486

SCHEMBL6937486

[CH2]C(=O)Nc1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 1/20 0.43
GRIK1 P39086 1/20 0.41
TGM2 P21980 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
DYRK1A Q13627 1/20 0.39
EPHX2 P34913 1/20 0.39
CHRNA7 P36544 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL6937489 0.84 CYP1A2 (0.56) MEN1KMT2ATSHRGRIK1CYP1A2
SCHEMBL18922385 0.82 MEN1 (0.45) MEN1KMT2ATSHRGRIK1CYP1A2
SCHEMBL28573399 0.81 P2RX1 (0.56) MEN1KMT2AGRIK1CYP1A2CYP2C19
SCHEMBL29953129 0.79 RXFP1 (0.51) MEN1KMT2ATSHRCYP1A2CYP2C19
SCHEMBL8057733 0.74 MGLL (0.56) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL4047337 0.73 MEN1 (0.45) MEN1KMT2ATSHRGRIK1TGM2
SCHEMBL955167 0.73 PTPN5 (0.43) MEN1KMT2ATSHRCYP1A2CYP2C19
SCHEMBL6924611 0.72 CYP2C19 (0.44) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL9689804 0.72 KIF11 (0.47) CYP2C9TRPV1
SCHEMBL6853258 0.72 POLB (0.42) MEN1KMT2AEPHX2ALDH1A1LMNA

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-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
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