SCHEMBL6502341

SCHEMBL6502341

O=C1NC(=O)C(Cc2cc(C(=O)NCc3ccccc3F)c(F)cc2C(F)(F)F)S1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
HPGD P15428 4/20 0.42
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.38
KLKB1 P03952 1/20 0.38
PPARG P37231 2/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.37
PPIA P62937 1/20 0.36

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
SCHEMBL6498811 0.82 HPGD (0.48) EPHX2HPGDPDE10AALDH1A1MAPT
SCHEMBL6495876 0.82 HPGD (0.44) EPHX2HPGDPDE10AALDH1A1MAPT
SCHEMBL6494246 0.78 LMNA (0.44) HPGDPDE10AALDH1A1MAPTTSHR
SCHEMBL6506747 0.77 CA2 (0.48) HPGDPDE10AALDH1A1MAPTTSHR
SCHEMBL6503028 0.77 PDE10A (0.47) HPGDPDE10AALDH1A1MAPTKMT2A
SCHEMBL6501926 0.77 KMT2A (0.45) HPGDPDE10AALDH1A1MAPTTSHR
SCHEMBL9943344 0.76 P2RX7 (0.43) EPHX2PPARGLMNA
SCHEMBL6494454 0.76 HPGD (0.45) HPGDPDE10AALDH1A1MAPTTSHR
SCHEMBL2176934 0.76 EPHX2 (0.53) EPHX2MAPTTP53PPARG
SCHEMBL8821819 0.75 EPHX2 (0.57) EPHX2PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed