SCHEMBL2372522

SCHEMBL2372522

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.53
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
PTGFR P43088 11/20 0.46
RORB Q92753 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL2373877 0.89 DHODH (0.49) DHODHKDM4EGAAPTGFRRORB
SCHEMBL2372827 0.89 DHODH (0.53) DHODHKDM4EGAAPTGFRMAPT
SCHEMBL2373336 0.89 DHODH (0.62) DHODHPTGFR
SCHEMBL2373334 0.89 DHODH (0.48) DHODHKDM4EGAAPTGFRLMNA
SCHEMBL2373309 0.88 DHODH (0.50) DHODHKDM4EGAAPTGFRLMNA
SCHEMBL2372979 0.87 DHODH (0.49) DHODHKDM4EGAAPTGFRRORB
SCHEMBL2373301 0.87 DHODH (0.47) DHODHKDM4EGAAPTGFRLMNA
SCHEMBL2373092 0.86 KDM4E (0.56) DHODHKDM4EGAAPTGFRLMNA
SCHEMBL2373435 0.86 DHODH (0.57) DHODHKDM4EGAAPTGFRLMNA
SCHEMBL2372070 0.86 DHODH (0.65) DHODHKDM4EGAAPTGFRCYP1A2

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