SCHEMBL2416936

SCHEMBL2416936

Cc1c(-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)nc2c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.58
PTGFR P43088 6/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
XDH P47989 1/20 0.45
PIN1 Q13526 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 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
SCHEMBL2372504 0.83 DHODH (0.69) DHODHPTGFRALDH1A1SMN1; SMN2KDM4E
SCHEMBL2417777 0.83 DHODH (0.59) DHODHPTGFRALDH1A1SMN1; SMN2XDH
SCHEMBL2373344 0.83 DHODH (0.82) DHODHPTGFR
SCHEMBL2372830 0.81 DHODH (0.69) DHODHPTGFRALDH1A1SMN1; SMN2XDH
SCHEMBL2372855 0.81 DHODH (0.71) DHODHPTGFRKMT2A
SCHEMBL2373037 0.80 DHODH (0.70) DHODHSMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL2372739 0.80 DHODH (0.71) DHODH
SCHEMBL2373103 0.80 DHODH (0.70) DHODHPTGFRALDH1A1SMN1; SMN2KDM4E
SCHEMBL2373336 0.79 DHODH (0.62) DHODHPTGFR
SCHEMBL2373114 0.79 DHODH (0.62) DHODHPTGFR

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
WO-2011119694-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119694-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed