SCHEMBL5316491

SCHEMBL5316491

Oc1cc(F)ccc1Oc1cc(Cl)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.37
MAP4K4 O95819 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TRPA1 O75762 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
PGR P06401 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
HSPA5 P11021 1/20 0.36
HPGD P15428 1/20 0.36
CBR1 P16152 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 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
SCHEMBL22567997 0.83 GAA (0.43) MAP4K4LMNAHSP90AA1MAPTHPGD
SCHEMBL5319900 0.82 RAF1 (0.39) TRPA1NR1I2LMNATTRPGR
SCHEMBL307909 0.78 MEN1 (0.49) MAP4K4CHRM2CHRM4CHRM5CHRM1
SCHEMBL1415748 0.76 L3MBTL1 (0.45) CHRM4TRPA1MAPTHSPB1
SCHEMBL5317344 0.73 KCNQ3 (0.42) NR1I2LMNATTRPGRHSP90AA1
SCHEMBL1437039 0.73 MET (0.45) METMAP4K4TRPA1HSPB1
SCHEMBL5319903 0.73 RAF1 (0.42) CHRM1LMNAHSP90AA1MAPTTBXA2R
SCHEMBL1137007 0.71 MET (0.59) MET
SCHEMBL27423552 0.70 SMN1; SMN2 (0.56) MAP4K4LMNAHSP90AA1MAPTHPGD
SCHEMBL26697193 0.70 ALDH1A1 (0.39) METMAP4K4LMNAHSP90AA1MAPT

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
WO-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO claimed
WO-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed