SCHEMBL2373084

SCHEMBL2373084

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2cc(OC(C)C)c(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.49
PTGFR P43088 10/20 0.43
CTSA P10619 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2372628 0.91 DHODH (0.47) DHODHPTGFRCTSA
SCHEMBL2373855 0.90 DHODH (0.46) DHODHPTGFRKDM4EGAAMEN1
SCHEMBL2373709 0.89 TRPV4 (0.39) DHODHPTGFRCTSAKDM4EMEN1
SCHEMBL2462371 0.88 DHODH (0.44) DHODHPTGFRCTSAKDM4EGAA
SCHEMBL2372892 0.88 DHODH (0.44) DHODHPTGFRCTSAKDM4EGAA
SCHEMBL2372676 0.87 DHODH (0.49) DHODHPTGFRCTSAKDM4EGAA
SCHEMBL2372055 0.86 DHODH (0.54) DHODHPTGFRKDM4EGAAMEN1
SCHEMBL2372827 0.86 DHODH (0.53) DHODHPTGFRKDM4EGAAMEN1
SCHEMBL2372522 0.85 DHODH (0.53) DHODHPTGFRKDM4EGAACYP1A2
SCHEMBL2372070 0.82 DHODH (0.65) DHODHPTGFRKDM4EGAAMEN1

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