SCHEMBL2373074

SCHEMBL2373074

Cc1c(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc2c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.57
PTGFR P43088 1/20 0.50
FABP4 P15090 2/20 0.44
FABP5 Q01469 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
XDH P47989 1/20 0.44
PIN1 Q13526 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NLRP3 Q96P20 1/20 0.43
TSHR P16473 1/20 0.43
PDE10A Q9Y233 1/20 0.43
FABP3 P05413 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
SCHEMBL2372240 0.90 DHODH (0.53) DHODHPTGFRFABP4SMN1; SMN2ALDH1A1
SCHEMBL2373133 0.89 PTGFR (0.48) DHODHPTGFRSMN1; SMN2GPBAR1CYP2C9
SCHEMBL18075849 0.85 DHODH (0.70) DHODHPTGFRFABP4FABP5CYP2C9
SCHEMBL2372504 0.85 DHODH (0.69) DHODHPTGFRFABP4SMN1; SMN2ALDH1A1
SCHEMBL2373037 0.82 DHODH (0.70) DHODHSMN1; SMN2GPBAR1CYP2C9KDM4E
SCHEMBL2372698 0.81 DHODH (0.56) DHODHPTGFRSMN1; SMN2ALDH1A1XDH
SCHEMBL2373336 0.80 DHODH (0.62) DHODHPTGFRTSHRPDE10A
SCHEMBL2373114 0.80 DHODH (0.62) DHODHPTGFRTSHRPDE10A
SCHEMBL2372855 0.80 DHODH (0.71) DHODHPTGFRTSHRPDE10AKMT2A
SCHEMBL2373344 0.80 DHODH (0.82) DHODHPTGFRTSHRPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed