SCHEMBL14101752

SCHEMBL14101752

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 5/20 0.40
HTT P42858 4/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ABCB1 P08183 1/20 0.34
USP2 O75604 2/20 0.34
CREBBP Q92793 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4723923 0.87 MAPT (0.56) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14102068 0.84 SMN1; SMN2 (0.45) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14101814 0.82 SMN1; SMN2 (0.44) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14101719 0.82 GAA (0.46) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14102060 0.79 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL4722916 0.79 MAPT (0.61) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14101931 0.76 SMN1; SMN2 (0.54) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL4724375 0.75 MAPT (0.58) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL4723759 0.75 MAPT (0.59) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14101750 0.75 GAA (0.49) SMN1; SMN2GAAMAPTHTTHTR6

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