SCHEMBL2372472

SCHEMBL2372472

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.51
DHODH Q02127 4/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
NLRP3 Q96P20 1/20 0.44
PTGFR P43088 4/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV4 Q9HBA0 3/20 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
SCHEMBL2373216 0.92 LMNA (0.51) PLA2G2ADHODHLMNATP53MAPT
SCHEMBL2373306 0.92 DHODH (0.51) PLA2G2ADHODHCYP2C9KDM4ECYP1A2
SCHEMBL2373864 0.89 DHODH (0.54) DHODHLMNACYP2C9KDM4ECYP1A2
SCHEMBL2372172 0.89 PLA2G2A (0.51) PLA2G2ADHODHCYP2C9KDM4ECYP1A2
SCHEMBL2372559 0.88 TRPV4 (0.50) DHODHKDM4ESMN1; SMN2PTGFRGAA
SCHEMBL2372795 0.88 PTGFR (0.45) PLA2G2ADHODHCYP2C9KDM4ECYP1A2
SCHEMBL2373435 0.87 DHODH (0.57) PLA2G2ADHODHLMNAMAPTCYP2C9
SCHEMBL2372854 0.87 MAPT (0.43) PLA2G2ALMNATP53MAPTCYP2C9
SCHEMBL2373699 0.86 CTSA (0.44) LMNATP53MAPTPTGFRALDH1A1
SCHEMBL2372765 0.86 PTGS2 (0.43) DHODHCYP2C9KDM4ECYP1A2CYP2C19

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