SCHEMBL4723141

SCHEMBL4723141

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
NAMPT P43490 1/20 0.33
PRKCA P17252 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
PTK2 Q05397 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IMPDH2 P12268 2/20 0.32
QPCT Q16769 1/20 0.32
IMPDH1 P20839 1/20 0.32
P2RY1 P47900 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 0.91 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4723319 0.90 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4723560 0.90 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4721816 0.89 MAPT (0.38) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4720892 0.89 MAPT (0.36) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4721750 0.88 PDE4A (0.38) MAPTALDH1A1NPSR1MEN1MAPK1
SCHEMBL4724113 0.87 MAPT (0.37) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722711 0.87 MAPT (0.37) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4720084 0.86 NAMPT (0.33) MAPTALDH1A1LMNAPOLBNAMPT
SCHEMBL4723402 0.85 MAPT (0.38) MAPTALDH1A1LMNANPSR1TP53

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