SCHEMBL4722028

SCHEMBL4722028

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(NCCCO)ccc3C)c(=O)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
IMPDH2 P12268 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.35
P2RY1 P47900 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NAMPT P43490 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTK2 Q05397 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
XBP1 P17861 1/20 0.33
PRKCA P17252 1/20 0.33
GSK3B P49841 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
SCHEMBL4723319 0.93 MAPT (0.39) MAPTIMPDH2SMN1; SMN2USP2MAPK1
SCHEMBL4723560 0.93 MAPT (0.39) MAPTIMPDH2SMN1; SMN2USP2MAPK1
SCHEMBL4721816 0.92 MAPT (0.38) MAPTIMPDH2SMN1; SMN2USP2MAPK1
SCHEMBL4721750 0.91 PDE4A (0.38) MAPTIMPDH2SMN1; SMN2USP2MAPK1
SCHEMBL4723141 0.91 MAPT (0.39) MAPTIMPDH2SMN1; SMN2USP2MAPK1
SCHEMBL4722711 0.90 MAPT (0.37) MAPTIMPDH2P2RY1NPSR1NAMPT
SCHEMBL4724113 0.90 MAPT (0.37) MAPTIMPDH2SMN1; SMN2USP2MAPK1
SCHEMBL4720892 0.89 MAPT (0.36) MAPTIMPDH2MAPK1P2RY1NPSR1
SCHEMBL4723402 0.88 MAPT (0.38) MAPTIMPDH2SMN1; SMN2MAPK1HPGD
SCHEMBL4719136 0.87 MAPT (0.37) MAPTIMPDH2SMN1; SMN2USP2MAPK1

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