SCHEMBL14774697

SCHEMBL14774697

Fc1cc(Cl)ccc1COc1cccnc1CBr

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
PTGER1 P34995 7/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
TBXA2R P21731 2/20 0.46
PTGS1 P23219 2/20 0.46
CYP2C19 P33261 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
HPD P32754 2/20 0.44
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 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
SCHEMBL18783716 0.81 FNTA (0.52) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL14774702 0.77 PTGER1 (0.54) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL23851495 0.77 MAPK14 (0.47) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL18783649 0.77 PTGER1 (0.51) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL22527755 0.76 MAPK14 (0.45) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL29389988 0.76 MAPK14 (0.45) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL14774660 0.74 PTGER1 (0.57) PTGER1CYP1A2CYP2C9TBXA2RPTGS1
SCHEMBL22550857 0.73 CYP2C19 (0.50) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL26908042 0.73 PTGER1 (0.48) MAPK14PTGER1CYP1A2CYP2C9TBXA2R
SCHEMBL29975031 0.73 CYP2C19 (0.50) MAPK14PTGER1CYP1A2CYP2C9TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
EP-2570125-A1 Ep1 receptor ligands Almirall, S.A. (ES) 2013-03-20 EP disclosed