SCHEMBL2373435

SCHEMBL2373435

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.57
PLA2G2A P14555 2/20 0.56
PTGFR P43088 8/20 0.49
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL2373092 0.92 KDM4E (0.56) DHODHPLA2G2APTGFRKDM4ELMNA
SCHEMBL2372070 0.92 DHODH (0.65) DHODHPTGFRKDM4ECYP1A2CYP2C9
SCHEMBL14553163 0.90 DHODH (0.59) DHODHPTGFRKDM4ECYP1A2CYP2C9
SCHEMBL2371993 0.90 DHODH (0.59) DHODHPTGFRKDM4ECYP1A2CYP2C9
SCHEMBL2372504 0.89 DHODH (0.69) DHODHPTGFRKDM4ELMNACYP1A2
SCHEMBL2461722 0.89 DHODH (0.73) DHODHPTGFR
SCHEMBL2372745 0.89 PTGFR (0.61) DHODHPTGFRKDM4ECYP1A2CYP2C9
SCHEMBL2373029 0.88 DHODH (0.57) DHODHPLA2G2APTGFR
SCHEMBL2373011 0.87 DHODH (0.58) DHODHPTGFRKDM4ESMN1; SMN2MAPT
SCHEMBL2372472 0.87 PLA2G2A (0.51) DHODHPLA2G2APTGFRKDM4ELMNA

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