SCHEMBL4722243

SCHEMBL4722243

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
HTT P42858 2/20 0.43
HTR6 P50406 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL4719536 0.91 MAPT (0.51) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4721147 0.89 MAPT (0.49) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4722409 0.89 MAPT (0.53) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4719253 0.89 NPSR1 (0.44) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4723306 0.88 NPSR1 (0.48) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4720779 0.88 MAPT (0.47) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4720172 0.87 MAPT (0.54) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4721264 0.87 MAPT (0.56) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4721593 0.87 MAPT (0.56) MAPTMAPK1TDP1LMNAPKM
SCHEMBL4721359 0.87 ALDH1A1 (0.44) MAPTMAPK1TDP1LMNAPKM

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