SCHEMBL4720892

SCHEMBL4720892

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
PTK2 Q05397 1/20 0.33
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 3/20 0.32
P2RY1 P47900 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 2/20 0.32
NAMPT P43490 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.90 MAPT (0.39) MAPTPTK2IMPDH2ALDH1A1P2RY1
SCHEMBL4723141 0.89 MAPT (0.39) MAPTPTK2IMPDH2ALDH1A1P2RY1
SCHEMBL4722028 0.89 MAPT (0.39) MAPTPTK2IMPDH2ALDH1A1P2RY1
SCHEMBL4720828 0.88 IMPDH2 (0.38) MAPTPTK2IMPDH2ALDH1A1P2RY1
SCHEMBL4723560 0.88 MAPT (0.39) MAPTPTK2IMPDH2ALDH1A1P2RY1
SCHEMBL4721816 0.88 MAPT (0.38) MAPTPTK2IMPDH2ALDH1A1P2RY1
SCHEMBL4721750 0.86 PDE4A (0.38) MAPTIMPDH2ALDH1A1P2RY1NPSR1
SCHEMBL4722711 0.85 MAPT (0.37) MAPTIMPDH2ALDH1A1P2RY1POLB
SCHEMBL4724113 0.85 MAPT (0.37) MAPTPTK2IMPDH2ALDH1A1P2RY1
SCHEMBL4723402 0.83 MAPT (0.38) MAPTIMPDH2ALDH1A1TP53NPSR1

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