SCHEMBL2372830

SCHEMBL2372830

Cc1c(-c2cccc(C(F)(F)F)c2)nc2cccc(Cl)c2c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.69
TSHR P16473 1/20 0.47
PDE10A Q9Y233 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
XDH P47989 1/20 0.46
PIN1 Q13526 1/20 0.46
RORB Q92753 3/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PTGFR P43088 3/20 0.44
RORC P51449 1/20 0.43

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
SCHEMBL2372319 0.88 DHODH (0.54) DHODHSMN1; SMN2RORBKDM4EGAA
SCHEMBL2372855 0.84 DHODH (0.71) DHODHTSHRPDE10AKMT2APTGFR
SCHEMBL2372504 0.82 DHODH (0.69) DHODHTSHRPDE10AALDH1A1SMN1; SMN2
SCHEMBL8687492 0.82 DHODH (1.00) DHODHTSHRPDE10AKMT2A
SCHEMBL2373114 0.82 DHODH (0.62) DHODHTSHRPDE10APTGFR
SCHEMBL2373336 0.82 DHODH (0.62) DHODHTSHRPDE10APTGFR
SCHEMBL2373344 0.81 DHODH (0.82) DHODHTSHRPDE10APTGFR
SCHEMBL2416936 0.81 DHODH (0.58) DHODHKMT2AALDH1A1SMN1; SMN2XDH
SCHEMBL2373037 0.81 DHODH (0.70) DHODHTSHRPDE10AKMT2ASMN1; SMN2
SCHEMBL2417777 0.80 DHODH (0.59) DHODHTSHRPDE10AALDH1A1SMN1; SMN2

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