SCHEMBL7015663

SCHEMBL7015663

CCC(C(=O)O)C(=O)c1cc(F)c(Cl)nc1Cl.CCOC=C(C(=O)OCC)C(=O)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7012803 0.89 KEAP1 (0.46) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL4458375 0.89 KEAP1 (0.46) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL29457327 0.89 KEAP1 (0.46) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL7172244 0.89 KEAP1 (0.46) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL29733883 0.89 KEAP1 (0.46) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL5781037 0.81 KEAP1 (0.50) KEAP1NFE2L2
SCHEMBL21174043 0.81 KEAP1 (0.50) KEAP1NFE2L2
SCHEMBL5781044 0.81 KEAP1 (0.50) KEAP1NFE2L2
SCHEMBL5160108 0.81 KEAP1 (0.58) KEAP1NFE2L2MAPTLMNA
SCHEMBL21309261 0.81 KEAP1 (0.46) KEAP1NFE2L2MAPTMEN1KMT2A

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
EP-1341781-A1 ANTIMICROBIAL QUINOLONES THE PROCTER & GAMBLE COMPANY (US) 2003-09-10 EP disclosed
WO-2002048138-A1 ANTIMICROBIAL QUINOLONES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 WO disclosed