SCHEMBL4722246

SCHEMBL4722246

Cc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)s1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
HTR6 P50406 2/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 6/20 0.62
LMNA P02545 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
ALDH1A1 P00352 5/20 0.59
POLB P06746 1/20 0.59
CYP2C9 P11712 3/20 0.55
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL4721334 0.86 MAPT (0.80) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4720975 0.86 NPSR1 (0.64) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4722891 0.86 MAPT (0.69) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4766617 0.85 MAPT (0.69) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4723916 0.83 MAPT (0.68) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4723029 0.83 MAPT (0.66) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4720519 0.83 MAPT (0.61) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4723810 0.83 MAPT (0.68) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4722092 0.83 MAPT (0.66) MAPTHTR6HTTNPSR1LMNA
SCHEMBL4718836 0.83 MAPT (0.64) MAPTHTR6HTTNPSR1LMNA

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