SCHEMBL4649260

SCHEMBL4649260

O=C(O)c1c[nH]c2c(F)cc(Cc3cccc(F)c3C(F)(F)F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
DNA2 P51530 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CMA1 P23946 5/20 0.37
TET2 Q6N021 1/20 0.37
TET1 Q8NFU7 1/20 0.37
HSD17B10 Q99714 1/20 0.36
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
SCHEMBL4650037 0.87 RAB9A (0.45) RAB9AALDH1A1HPGDCYP1A2LMNA
SCHEMBL4650636 0.87 KDM4E (0.43) RAB9AALDH1A1HPGDCYP1A2MEN1
SCHEMBL4650015 0.86 ALDH1A1 (0.42) RAB9AALDH1A1HPGDCYP1A2MEN1
SCHEMBL4650046 0.83 RAB9A (0.47) RAB9AALDH1A1HPGDCYP1A2MEN1
SCHEMBL4650682 0.83 KDM4E (0.43) RAB9AALDH1A1HPGDCYP1A2MEN1
SCHEMBL4649289 0.82 ALDH1A1 (0.53) RAB9AALDH1A1HPGDCYP1A2MEN1
SCHEMBL4650022 0.82 ALDH1A1 (0.50) RAB9AALDH1A1HPGDCYP1A2MEN1
SCHEMBL4649447 0.81 RAB9A (0.49) RAB9AALDH1A1HPGDCYP1A2LMNA
SCHEMBL4650802 0.81 ALDH1A1 (0.53) RAB9AALDH1A1HPGDCYP1A2MEN1
SCHEMBL4649455 0.80 ALDH1A1 (0.50) RAB9AALDH1A1HPGDCYP1A2MEN1

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 4 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
EP-1963271-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO disclosed