SCHEMBL2373595

SCHEMBL2373595

COC(=O)c1c(C)c(-c2cccc(C(F)(F)F)c2)nc2c(Br)cccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.45
PTGFR P43088 7/20 0.44
MAPT P10636 2/20 0.43
RORB Q92753 3/20 0.42
TACR3 P29371 1/20 0.41
CTSA P10619 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2372801 0.89 DHODH (0.45) DHODHPTGFRMAPTRORBCTSA
SCHEMBL2372698 0.88 DHODH (0.56) DHODHPTGFRRORBKDM4EMEN1
SCHEMBL2373094 0.88 PLA2G2A (0.44) DHODHPTGFRMAPTRORBCTSA
SCHEMBL2373599 0.88 MAPT (0.41) MAPTRORBTACR3CTSAMEN1
SCHEMBL2371971 0.84 DHODH (0.45) DHODHPTGFRMAPTRORBCTSA
SCHEMBL2373268 0.84 DHODH (0.49) DHODHPTGFRRORBKDM4EMEN1
SCHEMBL2373011 0.84 DHODH (0.58) DHODHPTGFRMAPTTACR3KDM4E
SCHEMBL2372745 0.83 PTGFR (0.61) DHODHPTGFRKDM4EMEN1KMT2A
SCHEMBL2372769 0.82 PTGFR (0.54) DHODHPTGFRKDM4EMEN1KMT2A
SCHEMBL2372070 0.82 DHODH (0.65) DHODHPTGFRKDM4EGAAMEN1

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