SCHEMBL4650868

SCHEMBL4650868

O=C(O)c1c[nH]c2c(F)cc(Cc3cc(F)ccc3F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 3/20 0.43
CSNK2A2 P19784 4/20 0.40
CSNK2B P67870 4/20 0.40
CSNK2A1 P68400 4/20 0.40
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RAB9A P51151 1/20 0.39
TET2 Q6N021 1/20 0.38
TET1 Q8NFU7 1/20 0.38
SNCA P37840 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
DNA2 P51530 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
GUSB P08236 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
SCHEMBL4649215 0.91 KDM4E (0.51) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4649289 0.87 ALDH1A1 (0.53) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4649994 0.86 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4650041 0.85 ALDH1A1 (0.47) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4650139 0.84 ALDH1A1 (0.51) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4649447 0.83 RAB9A (0.49) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4650037 0.83 RAB9A (0.45) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4650793 0.83 ALDH1A1 (0.46) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4649428 0.82 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHPGDCSNK2A2
SCHEMBL4650128 0.82 ALDH1A1 (0.52) KDM4EALDH1A1LMNAHPGDCSNK2A2

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-1963271-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO claimed