SCHEMBL2373216

SCHEMBL2373216

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NLRP3 Q96P20 1/20 0.51
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.45
DHODH Q02127 1/20 0.42
PLA2G2A P14555 2/20 0.42
TRPV4 Q9HBA0 10/20 0.41
EGFR P00533 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
DPP4 P27487 1/20 0.39
TACR2 P21452 1/20 0.39
TACR3 P29371 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2372472 0.92 PLA2G2A (0.51) LMNAKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2372251 0.89 TRPV4 (0.51) MAPTPLA2G2ATRPV4TACR3
SCHEMBL2372559 0.88 TRPV4 (0.50) KDM4ESMN1; SMN2DHODHTRPV4TACR2
SCHEMBL2373092 0.87 KDM4E (0.56) LMNAKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2373306 0.86 DHODH (0.51) KDM4ECYP1A2CYP2C9CYP2C19HTT
SCHEMBL2372142 0.86 CTSA (0.44) LMNATP53MAPTTRPV4
SCHEMBL2372047 0.86 PTGS2 (0.43) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373699 0.86 CTSA (0.44) LMNATP53MAPTTRPV4
SCHEMBL2373287 0.86 TRPV4 (0.52) LMNAKDM4ETP53MAPTTRPV4
SCHEMBL2372854 0.85 MAPT (0.43) LMNAKDM4ECYP1A2CYP3A4CYP2C9

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