SCHEMBL8768550

SCHEMBL8768550

O=C(O)c1n[nH]cc1NCO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.32
HAO1 Q9UJM8 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2803444 0.79 CDK2 (0.37) HCAR2KDM4ELMNA
SCHEMBL10240090 0.77 KDM4C (0.38) HCAR2KDM4ELMNA
SCHEMBL2801188 0.76 HCAR3 (0.38) HCAR2KDM4EASPHKDM8
SCHEMBL2801161 0.76 PGK1 (0.35) HCAR2KDM4ECYP2C19LMNA
SCHEMBL2801895 0.75 KDM4C (0.51) KDM4EASPHKDM8LMNA
SCHEMBL2801403 0.74 HSD17B10 (0.38) KDM4ECYP2C19HSD17B10LMNA
SCHEMBL2802724 0.74 HCAR3 (0.38) HCAR2KDM4EASPHKDM8
SCHEMBL15871949 0.74 KDM4E (0.42) KDM4ELMNA
SCHEMBL2233228 0.74 CD38 (0.41) KDM4E
SCHEMBL2802551 0.73 HCAR3 (0.41) HCAR2KDM4EASPHKDM8LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed