SCHEMBL4719136

SCHEMBL4719136

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(NCCO)ccc3Br)c(=O)c3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 3/20 0.34
IMPDH2 P12268 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 1/20 0.33
PTK2 Q05397 1/20 0.32
RAB9A P51151 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
SCHEMBL4721816 0.95 MAPT (0.38) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722028 0.87 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4723560 0.87 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4723319 0.87 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4720984 0.86 ALDH1A1 (0.36) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4722053 0.86 CTDSP1 (0.36) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4723141 0.85 MAPT (0.39) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4721750 0.85 PDE4A (0.38) MAPTALDH1A1NPSR1IMPDH2USP2
SCHEMBL4722711 0.84 MAPT (0.37) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL4724113 0.84 MAPT (0.37) MAPTALDH1A1LMNAPOLBNPSR1

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