SCHEMBL2373133

SCHEMBL2373133

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 4/20 0.48
DHODH Q02127 4/20 0.46
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
PLA2G2A P14555 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
CTSA P10619 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NLRP3 Q96P20 1/20 0.41
RORB Q92753 2/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL2373094 0.90 PLA2G2A (0.44) PTGFRDHODHKDM4EGAAPLA2G2A
SCHEMBL2373074 0.89 DHODH (0.57) PTGFRDHODHKDM4ELMNAGPBAR1
SCHEMBL2372776 0.87 MAPT (0.42) PTGFRKDM4EPLA2G2AMAPTTP53
SCHEMBL2373435 0.85 DHODH (0.57) PTGFRDHODHKDM4EGAAPLA2G2A
SCHEMBL2373092 0.83 KDM4E (0.56) PTGFRDHODHKDM4EGAAPLA2G2A
SCHEMBL2373595 0.82 DHODH (0.45) PTGFRDHODHKDM4EGAAMAPT
SCHEMBL2373309 0.81 DHODH (0.50) PTGFRDHODHKDM4EGAAPLA2G2A
SCHEMBL2372522 0.81 DHODH (0.53) PTGFRDHODHKDM4EGAAMAPT
SCHEMBL2373877 0.80 DHODH (0.49) PTGFRDHODHKDM4EGAAMAPT
SCHEMBL2372979 0.80 DHODH (0.49) PTGFRDHODHKDM4EGAAMAPT

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