SCHEMBL4720753

SCHEMBL4720753

CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCN(C)C(=O)C3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
HTR6 P50406 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
EED O75530 1/20 0.36
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4718779 0.91 MAPT (0.53) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4722625 0.90 NPSR1 (0.41) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4766563 0.89 MAPT (0.52) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4721181 0.88 NPSR1 (0.44) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4721382 0.88 NPSR1 (0.44) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4720317 0.88 NPSR1 (0.44) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4721396 0.88 NPSR1 (0.40) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4723497 0.88 ALDH1A1 (0.43) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4723501 0.87 MAPT (0.47) MAPTHTR6HTTNPSR1MEN1
SCHEMBL4721830 0.87 NPSR1 (0.44) MAPTHTR6HTTNPSR1MEN1

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