SCHEMBL4720172

SCHEMBL4720172

COc1cccc(-c2cc(N3CCCC3)c(=O)n(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.54
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.46
HTR6 P50406 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL4721264 0.99 MAPT (0.56) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4721593 0.99 MAPT (0.56) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4723306 0.89 NPSR1 (0.48) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4724283 0.89 MAPT (0.50) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4722671 0.89 MAPT (0.50) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4721108 0.89 MAPT (0.48) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4724187 0.89 MAPT (0.44) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4722604 0.88 MAPT (0.51) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4722824 0.88 MAPT (0.47) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL4719536 0.88 MAPT (0.51) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1

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