SCHEMBL4723560

SCHEMBL4723560

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(NCCCO)ccc3F)c(=O)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 3/20 0.35
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
P2RY1 P47900 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NAMPT P43490 1/20 0.32
PRKCA P17252 1/20 0.32
GSK3B P49841 1/20 0.32
GAA P10253 1/20 0.32
PTK2 Q05397 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.93 MAPT (0.39) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4723319 0.92 MAPT (0.39) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4721816 0.92 MAPT (0.38) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4723141 0.90 MAPT (0.39) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4721750 0.90 PDE4A (0.38) MAPTNPSR1IMPDH2ALDH1A1P2RY1
SCHEMBL4722711 0.89 MAPT (0.37) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4724113 0.89 MAPT (0.37) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4720892 0.88 MAPT (0.36) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4723402 0.87 MAPT (0.38) MAPTNPSR1IMPDH2ALDH1A1LMNA
SCHEMBL4719136 0.87 MAPT (0.37) MAPTNPSR1IMPDH2ALDH1A1LMNA

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