SCHEMBL4723402

SCHEMBL4723402

Cc1cc(-c2cnco2)cc(-c2nn(-c3cccc(NCCCO)c3)c(=O)c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
PRKCA P17252 1/20 0.36
GSK3B P49841 1/20 0.36
IMPDH2 P12268 1/20 0.36
ADORA2A P29274 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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 0.88 MAPT (0.39) MAPTMAPK1ALDH1A1LMNAHPGD
SCHEMBL4723319 0.87 MAPT (0.39) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4723560 0.87 MAPT (0.39) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4721816 0.87 MAPT (0.38) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4723141 0.85 MAPT (0.39) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4721750 0.85 PDE4A (0.38) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4724113 0.85 MAPT (0.37) MAPTMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL4722711 0.85 MAPT (0.37) MAPTALDH1A1LMNANPSR1PRKCA
SCHEMBL4720892 0.83 MAPT (0.36) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL4719136 0.82 MAPT (0.37) MAPTMEN1KMT2AMAPK1ALDH1A1

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