SCHEMBL7434819

SCHEMBL7434819

CCOC(=O)CNCC#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 5/20 0.41
TRPA1 O75762 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.39
LTA4H P09960 2/20 0.37
PPID Q08752 1/20 0.37
CYP1A2 P05177 1/20 0.36
GLA P06280 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
SCHEMBL1983747 0.82 KMT2A (0.49) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL391332 0.82 GAA (0.65) GAAMGAMSIMGAM2SMN1; SMN2
Water SCHEMBL262185 0.80 GAA (0.56) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL8570296 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28234269 0.80 GAA (0.62) GAAMGAMSIMGAM2SMN1; SMN2
Hydrochloric Acid SCHEMBL27917473 0.80 GAA (0.62) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3181491 0.79 GAA (0.50) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL6050147 0.78
SCHEMBL939170 0.78
SCHEMBL1838345 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754856-A Preparation method of medicinal creatinine 北京凤礼精求医药股份有限公司 2024-10-11 CN claimed
CN-118754856-A Preparation method of medicinal creatinine 北京凤礼精求医药股份有限公司 2024-10-11 CN disclosed
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed
US-4421693-A INSECTICIDES, MITICIDES OR NEMATOCIDES OTSUKA CHEMICAL CO., LTD. (JP) 1983-12-20 US disclosed
US-4413005-A 2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN-7-YL DERIVATIVES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-11-01 US disclosed