SCHEMBL2372854

SCHEMBL2372854

COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2c(Br)cc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
PLA2G2A P14555 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CTSA P10619 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MAPK14 Q16539 1/20 0.38
P2RX3 P56373 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
RORB Q92753 1/20 0.37

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
SCHEMBL2372776 0.92 MAPT (0.42) MAPTLMNATP53PLA2G2AGPBAR1
SCHEMBL2373094 0.89 PLA2G2A (0.44) MAPTLMNATP53PLA2G2AGPBAR1
SCHEMBL2373599 0.89 MAPT (0.41) MAPTCTSAMEN1KMT2ARORB
SCHEMBL2372472 0.87 PLA2G2A (0.51) MAPTLMNATP53PLA2G2AGPBAR1
SCHEMBL2373216 0.85 LMNA (0.51) MAPTLMNATP53PLA2G2AGPBAR1
SCHEMBL2372709 0.84 CTSA (0.40) MAPTLMNATP53CTSAKDM4E
SCHEMBL2373306 0.81 DHODH (0.51) PLA2G2AHTTKDM4ECYP1A2CYP2C9
SCHEMBL2372559 0.81 TRPV4 (0.50) KDM4ESMN1; SMN2TRPV4
SCHEMBL2373052 0.80 TRPV4 (0.38) MAPTLMNATP53MAPK14TRPV4
SCHEMBL2372240 0.80 DHODH (0.53) LMNAGPBAR1HTTKDM4ECYP1A2

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