SCHEMBL3238752

SCHEMBL3238752

CCOC(=O)c1cn(Cc2ccc(F)cc2F)c2c(F)cccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CHRM1 P11229 1/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
FSCN1 Q16658 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL3233806 0.85 CHRM1 (0.64) CHRM1LMNAMAPTFSCN1TP53
SCHEMBL7746533 0.81 TDP1 (0.56) TDP1CHRM1KMT2ALMNAALDH1A1
SCHEMBL3233811 0.80 CHRM1 (0.47) CHRM1MAPTFSCN1ALDH1A1TP53
SCHEMBL3238812 0.80 CHRM1 (0.57) TDP1CHRM1LMNASMN1; SMN2
SCHEMBL7115198 0.79 TDP1 (0.55) TDP1CHRM1KMT2ALMNAKDM4E
SCHEMBL17338593 0.78 NPC1 (0.63) TDP1KMT2ALMNAMAPTALDH1A1
SCHEMBL11895061 0.77 KMT2A (0.50) TDP1KMT2ALMNAMAPTALDH1A1
SCHEMBL1481951 0.77 LMNA (0.48) TDP1CHRM1KMT2ALMNAMAPT
SCHEMBL7745926 0.76 TDP1 (0.51) TDP1CHRM1KMT2ALMNAALDH1A1
SCHEMBL3228651 0.76 CHRM1 (0.64) CHRM1LMNAMAPTTP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
WO-2007100366-A2 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-09-07 WO disclosed