SCHEMBL2372698

SCHEMBL2372698

Cc1c(-c2cccc(C(F)(F)F)c2)nc2c(Br)cccc2c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.56
TSHR P16473 1/20 0.47
PDE10A Q9Y233 1/20 0.47
PTGFR P43088 4/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
XDH P47989 1/20 0.46
PIN1 Q13526 1/20 0.46
RORB Q92753 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
KMO O15229 2/20 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
SCHEMBL2372388 0.88 DHODH (0.53) DHODHTSHRPDE10APTGFRALDH1A1
SCHEMBL2373595 0.88 DHODH (0.45) DHODHPTGFRALDH1A1SMN1; SMN2RORB
SCHEMBL2372240 0.87 DHODH (0.53) DHODHPTGFRALDH1A1SMN1; SMN2XDH
SCHEMBL2372855 0.84 DHODH (0.71) DHODHTSHRPDE10APTGFRKMT2A
SCHEMBL2373103 0.83 DHODH (0.70) DHODHPTGFRALDH1A1SMN1; SMN2KDM4E
SCHEMBL2373467 0.82 DHODH (0.52) DHODHTSHRPDE10AALDH1A1SMN1; SMN2
SCHEMBL2373344 0.81 DHODH (0.82) DHODHTSHRPDE10APTGFR
SCHEMBL2372773 0.81 DHODH (0.59) DHODHTSHRPDE10APTGFRALDH1A1
SCHEMBL2371929 0.81 DHODH (0.61) DHODHTSHRPDE10APTGFRALDH1A1
SCHEMBL2373074 0.81 DHODH (0.57) DHODHTSHRPDE10APTGFRALDH1A1

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