SCHEMBL4723319

SCHEMBL4723319

CCc1ccc(NCCCO)cc1-n1nc(-c2cc(C)cc(-c3cnco3)c2)c2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2 Q05397 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
P2RY1 P47900 1/20 0.33
HPGD P15428 2/20 0.33
NAMPT P43490 1/20 0.32
PRKCA P17252 1/20 0.32
GSK3B P49841 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) MAPTNPSR1SMN1; SMN2PTK2USP2
SCHEMBL4723560 0.92 MAPT (0.39) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4721816 0.92 MAPT (0.38) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4723141 0.90 MAPT (0.39) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4721750 0.90 PDE4A (0.38) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4720892 0.90 MAPT (0.36) MAPTNPSR1MEN1KMT2APTK2
SCHEMBL4722711 0.89 MAPT (0.37) MAPTNPSR1IMPDH2ALDH1A1POLB
SCHEMBL4724113 0.89 MAPT (0.37) MAPTNPSR1SMN1; SMN2PTK2USP2
SCHEMBL4723402 0.87 MAPT (0.38) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4719136 0.87 MAPT (0.37) MAPTNPSR1SMN1; SMN2MEN1KMT2A

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