SCHEMBL8413577

SCHEMBL8413577

CCCN1C(N2CCN(c3ccc(O)cc3)CC2)C(OC)c2ccccc2S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
TYR P14679 1/20 0.39
MAPK1 P28482 1/20 0.39
ME1 P48163 7/20 0.37
ME2 P23368 6/20 0.37
ME3 Q16798 6/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
ESR1 P03372 2/20 0.36
ESRRG P62508 2/20 0.36
ESRRB O95718 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8413134 0.90 TP53 (0.39) MAPTLMNANPC1ALDH1A1
SCHEMBL8412330 0.84 TYR (0.41) MAPTKDM4EGAALMNATYR
SCHEMBL8410491 0.77 TP53 (0.40) MAPTLMNAMAPK1NPC1USP2
SCHEMBL8413001 0.75 L3MBTL1 (0.41) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL8413893 0.74 TYR (0.42) MAPTKDM4EGAALMNATYR
SCHEMBL8413058 0.73 HTR7 (0.36) MAPTKDM4EGAALMNATYR
SCHEMBL8413371 0.73 TYR (0.41) MAPTKDM4EGAALMNATYR
SCHEMBL8413784 0.72 TYR (0.40) MAPTKDM4EGAALMNATYR
SCHEMBL6997213 0.70 DRD2 (0.43) ESR1ESRRG
SCHEMBL8413423 0.70 HTR7 (0.43) KDM4EKMT2A

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
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed