SCHEMBL9082004

SCHEMBL9082004

O=C1CC(=O)N(CCCO)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 8/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 10/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PABPC1 P11940 2/20 0.42
MEN1 O00255 9/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 3/20 0.41
RECQL P46063 3/20 0.41
APEX1 P27695 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
DNMT1 P26358 1/20 0.41
PTPN7 P35236 1/20 0.41
HBB P68871 1/20 0.41

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
SCHEMBL9083880 0.94 MAPT (0.47) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL8415311 0.88 MAPT (0.51) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL9084023 0.83 MAPT (0.47) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL2161839 0.81 MAPT (0.49) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL9085200 0.80 PTGS1 (0.54) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL14185382 0.79 MEN1 (0.46) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL11256559 0.79 MAPT (0.47) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL9082070 0.79 MAPT (0.44) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL9085470 0.78 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4CYP2C9PKM
SCHEMBL28750233 0.78 MGLL (0.47) ALDH1A1MAPTCYP3A4CYP2C9PKM

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-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed