SCHEMBL4765977

SCHEMBL4765977

COc1cccc(-c2cc(CCc3ccccc3)c(=O)n(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 6/20 0.45
NPSR1 Q6W5P4 3/20 0.45
POLB P06746 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4723902 0.96 MAPT (0.45) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4723059 0.93 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722538 0.92 MAPT (0.48) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4722671 0.91 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4721589 0.90 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4724283 0.88 MAPT (0.50) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4723674 0.88 MAPT (0.47) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4720627 0.85 MAPT (0.49) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4721108 0.84 MAPT (0.48) MAPTLMNAMAPK1TDP1PKM
SCHEMBL4720172 0.84 MAPT (0.54) 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