SCHEMBL14102011

SCHEMBL14102011

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCOCC4)ccc3N=O)c(=O)c3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 4/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 0.37
IMPDH2 P12268 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
USP2 O75604 1/20 0.36
CREBBP Q92793 1/20 0.36
KIF11 P52732 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL14102060 0.89 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4724273 0.86 MAPT (0.59) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14101931 0.85 SMN1; SMN2 (0.54) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14101809 0.79 GAA (0.56) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14102010 0.79 SMN1; SMN2 (0.46) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4721133 0.79 MAPT (0.56) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4719397 0.78 MAPT (0.56) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4722132 0.77 SMN1; SMN2 (0.74) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4723172 0.77 GAA (0.57) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4722721 0.77 MAPT (0.56) SMN1; SMN2GAAMAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed