SCHEMBL9502192

SCHEMBL9502192

Cc1ccccc1CNC(CCOCC(C)C)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL9504013 0.89 KDM4E (0.40) TDP1KDM4EKMT2AALDH1A1MEN1
SCHEMBL9502149 0.88 TSHR (0.48) KDM4EKMT2ALMNAALDH1A1MEN1
SCHEMBL9502833 0.81 SLC6A4 (0.44) KDM4EKMT2ALMNAMEN1CYP2D6
SCHEMBL9502176 0.80 KDM4E (0.48) TDP1KDM4EKMT2ALMNAMCOLN3
SCHEMBL9504097 0.77 KDM4E (0.45) TDP1KDM4EKMT2ALMNAMCOLN3
SCHEMBL9501470 0.74 KDM4E (0.38) TDP1KDM4EKMT2ALMNAALDH1A1
SCHEMBL10386225 0.71 ALDH1A1 (0.45) KDM4EKMT2ALMNAALDH1A1GAA
SCHEMBL9501107 0.69 TSHR (0.48) TDP1KDM4EKMT2ALMNAALDH1A1
SCHEMBL9502751 0.68 KDM4E (0.39) TDP1KDM4EKMT2ALMNAALDH1A1
SCHEMBL9501073 0.67 GAA (0.59) KMT2ALMNAALDH1A1GAAMEN1

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-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed