SCHEMBL2372319

SCHEMBL2372319

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2cccc(Cl)c12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.54
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
RORB Q92753 3/20 0.43
MAPT P10636 3/20 0.42
MAPK14 Q16539 1/20 0.42
CTSA P10619 1/20 0.42
PTGFR P43088 5/20 0.42
RORC P51449 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL2372830 0.88 DHODH (0.69) DHODHKDM4EGAARORBPTGFR
SCHEMBL2372810 0.84 DHODH (0.47) DHODHKDM4ERORBMAPTPTGFR
SCHEMBL2373011 0.84 DHODH (0.58) DHODHKDM4EGAAMAPTPTGFR
SCHEMBL2373309 0.83 DHODH (0.50) DHODHKDM4EGAAMAPTPTGFR
SCHEMBL2372522 0.83 DHODH (0.53) DHODHKDM4EGAARORBMAPT
SCHEMBL2373092 0.82 KDM4E (0.56) DHODHKDM4EGAAMAPTPTGFR
SCHEMBL2373435 0.82 DHODH (0.57) DHODHKDM4EGAAMAPTPTGFR
SCHEMBL2372979 0.82 DHODH (0.49) DHODHKDM4EGAARORBMAPT
SCHEMBL2373877 0.82 DHODH (0.49) DHODHKDM4EGAARORBMAPT
SCHEMBL2372070 0.82 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