SCHEMBL2373092

SCHEMBL2373092

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NLRP3 Q96P20 1/20 0.56
DHODH Q02127 5/20 0.54
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.47
PLA2G2A P14555 1/20 0.46
TP53 P04637 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
PTGFR P43088 6/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL2373435 0.92 DHODH (0.57) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2373037 0.89 DHODH (0.70) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2372822 0.88 DHODH (0.49) KDM4EDHODHMAPTGAAPTGFR
SCHEMBL2372769 0.88 PTGFR (0.54) KDM4ECYP1A2CYP2C9CYP2C19HTT
SCHEMBL2373011 0.87 DHODH (0.58) KDM4ESMN1; SMN2DHODHMAPTGAA
SCHEMBL2373216 0.87 LMNA (0.51) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2373309 0.86 DHODH (0.50) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2372696 0.86 DHODH (0.48) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2372522 0.86 DHODH (0.53) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2373877 0.85 DHODH (0.49) KDM4ELMNACYP1A2CYP3A4CYP2C9

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-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed