SCHEMBL4724113

SCHEMBL4724113

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(NCCCO)ccc3S(C)(=O)=O)c(=O)c3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32
PTK2 Q05397 1/20 0.32
IMPDH2 P12268 1/20 0.32
POLB P06746 3/20 0.32
LMNA P02545 2/20 0.32
CASP6 P55212 1/20 0.32
P2RY1 P47900 1/20 0.31
NAMPT P43490 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL4722028 0.90 MAPT (0.39) MAPTUSP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4723319 0.89 MAPT (0.39) MAPTUSP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4723560 0.89 MAPT (0.39) MAPTUSP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4721816 0.89 MAPT (0.38) MAPTUSP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4723141 0.87 MAPT (0.39) MAPTUSP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4721750 0.87 PDE4A (0.38) MAPTUSP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4722711 0.87 MAPT (0.37) MAPTALDH1A1NPSR1IMPDH2POLB
SCHEMBL4720042 0.86 IMPDH2 (0.39) MAPTSMN1; SMN2ALDH1A1NPSR1ALOX5
SCHEMBL4720892 0.85 MAPT (0.36) MAPTMAPK1ALDH1A1NPSR1PTK2
SCHEMBL4723402 0.85 MAPT (0.38) MAPTMAPK1SMN1; SMN2ALDH1A1NPSR1

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