SCHEMBL9166548

SCHEMBL9166548

CCC(=O)NNC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EPHX1 P07099 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1169137 0.83 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2MAPTKDM4E
SCHEMBL7784530 0.80 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2PKMATM
SCHEMBL16906258 0.77 APLNR (0.58) ALDH1A1TDP1SMN1; SMN2MAPTKDM4E
SCHEMBL13732627 0.77 ALDH1A1 (0.40) ALDH1A1TDP1SMN1; SMN2MAPTKDM4E
SCHEMBL1965844 0.76
SCHEMBL28604705 0.74 LMNA (0.48) ALDH1A1TDP1SMN1; SMN2KDM4EKMT2A
SCHEMBL10567351 0.73 HSP90AA1 (0.55) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL10566600 0.73 SMN1; SMN2 (0.38) ALDH1A1TDP1SMN1; SMN2MAPTKDM4E
SCHEMBL29039515 0.72 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2MAPTKDM4E
SCHEMBL7799117 0.72

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-0434623-B1 Cationic azo dyes CIBA GEIGY AG (CH) 1995-03-15 EP claimed