SCHEMBL2373396

SCHEMBL2373396

COC(=O)c1c(CBr)c(-c2ccc(Cl)c(C(F)(F)F)c2)nc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.48
NOTUM Q6P988 2/20 0.46
DHODH Q02127 6/20 0.41
SCD O00767 1/20 0.39
GRIN2B Q13224 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
RORB Q92753 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2372547 0.87 DHODH (0.54) PLA2G2ANOTUMDHODHKDM4EGAA
SCHEMBL2372472 0.85 PLA2G2A (0.51) PLA2G2ADHODHKDM4EALDH1A1GAA
SCHEMBL2372690 0.79 TRPV4 (0.51)
SCHEMBL2373216 0.77 LMNA (0.51) PLA2G2ADHODHKDM4ECYP2C9
SCHEMBL2373306 0.76 DHODH (0.51) PLA2G2ADHODHKDM4EALDH1A1CYP2C9
SCHEMBL2373281 0.74 KDM4E (0.55) PLA2G2ADHODHKDM4EALDH1A1
SCHEMBL2372172 0.73 PLA2G2A (0.51) PLA2G2ADHODHSCDKDRKDM4E
SCHEMBL2373699 0.73 CTSA (0.44) RORBMRGPRX4ALDH1A1GAA
SCHEMBL2372142 0.73 CTSA (0.44) RORBMRGPRX4ALDH1A1GAA
SCHEMBL2373864 0.73 DHODH (0.54) DHODHKDM4EALDH1A1GAACYP2C9

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