SCHEMBL2373306

SCHEMBL2373306

COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.51
PTGFR P43088 8/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV4 Q9HBA0 3/20 0.42
PLA2G2A P14555 1/20 0.42

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) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2372172 0.92 PLA2G2A (0.51) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2372559 0.92 TRPV4 (0.50) DHODHPTGFRKDM4ESMN1; SMN2TRPV4
SCHEMBL2372795 0.91 PTGFR (0.45) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2372765 0.90 PTGS2 (0.43) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2406597 0.88 DHODH (0.50) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2372251 0.86 TRPV4 (0.51) TRPV4PLA2G2A
SCHEMBL2373216 0.86 LMNA (0.51) DHODHKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2372070 0.86 DHODH (0.65) DHODHPTGFRKDM4EMEN1ALDH1A1
SCHEMBL2373699 0.86 CTSA (0.44) PTGFRMEN1ALDH1A1KMT2ATRPV4

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