SCHEMBL4723340

SCHEMBL4723340

COc1cccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3c(C)cccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
HTT P42858 1/20 0.53
HTR6 P50406 1/20 0.53
NPSR1 Q6W5P4 5/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 7/20 0.49
POLB P06746 1/20 0.49
PKM P14618 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4719535 0.94 MAPT (0.53) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721044 0.90 MAPT (0.66) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4722081 0.86 MAPT (0.49) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4720092 0.84 MAPT (0.48) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4724941 0.84 MAPT (0.65) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4719291 0.82 MAPT (0.68) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4723553 0.82 MAPT (0.63) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721471 0.82 MAPT (0.63) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4723393 0.82 MAPT (0.50) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4723161 0.81 MAPT (0.60) MAPTHTTHTR6NPSR1LMNA

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