SCHEMBL4722409

SCHEMBL4722409

CCNc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
HTR6 P50406 1/20 0.43
DCTPP1 Q9H773 1/20 0.43

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) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722243 0.89 MAPT (0.49) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4721147 0.89 MAPT (0.49) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722671 0.89 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722538 0.88 MAPT (0.48) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4724460 0.87 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722929 0.87 ALDH1A1 (0.44) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4724283 0.86 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4720027 0.86 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4723174 0.86 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM

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