SCHEMBL4721040

SCHEMBL4721040

Cc1cc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc2ccoc12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
HTR6 P50406 2/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 7/20 0.55
MAPK1 P28482 1/20 0.54
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 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
SCHEMBL4721356 0.86 MAPT (0.62) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4722891 0.86 MAPT (0.69) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4722367 0.85 MAPT (0.59) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4723512 0.85 MAPT (0.62) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4766617 0.84 MAPT (0.69) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4721334 0.84 MAPT (0.80) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4723518 0.84 MAPT (0.63) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4720177 0.83 MAPT (0.65) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4722092 0.83 MAPT (0.66) MAPTHTR6HTTMEN1KMT2A
SCHEMBL4720975 0.83 NPSR1 (0.64) MAPTHTR6HTTMEN1KMT2A

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