SCHEMBL4723018

SCHEMBL4723018

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 2/20 0.45
PKM P14618 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 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
SCHEMBL4722824 0.92 MAPT (0.47) MAPTALDH1A1LMNACYP2C9MAPK1
SCHEMBL4766396 0.90 MAPT (0.45) MAPTALDH1A1LMNACYP2C9MAPK1
SCHEMBL4718605 0.89 MAPT (0.46) MAPTALDH1A1LMNACYP2C9MAPK1
SCHEMBL4719847 0.89 MAPT (0.46) MAPTALDH1A1LMNACYP2C9MAPK1
SCHEMBL4723501 0.89 MAPT (0.47) MAPTALDH1A1LMNAMAPK1PKM
SCHEMBL4721834 0.88 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1PKM
SCHEMBL4724907 0.88 MAPT (0.47) MAPTALDH1A1LMNACYP2C9MAPK1
SCHEMBL4720297 0.87 MAPT (0.46) MAPTALDH1A1LMNACYP2C9MAPK1
SCHEMBL4723933 0.87 MAPT (0.46) MAPTALDH1A1LMNAMAPK1PKM
SCHEMBL4722001 0.87 MAPT (0.45) MAPTALDH1A1LMNAMAPK1PKM

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