SCHEMBL8448451

SCHEMBL8448451

CCO/N=C(\C(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
CYP2C19 P33261 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 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
SCHEMBL22758101 1.00 GAA (0.55) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL8448454 1.00 GAA (0.55) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL11243831 0.87 CYP2C19 (0.51) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL22758100 0.87 CYP2C19 (0.51) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL11541350 0.86 SMN1; SMN2 (0.46) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL11541352 0.86 SMN1; SMN2 (0.46) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL11228215 0.84 GAA (0.49) GAACYP2C19L3MBTL1TDP1LMNA
SCHEMBL11236201 0.83 GAA (0.47) GAACYP2C19MEN1KMT2ALMNA
SCHEMBL11236782 0.83 SMN1; SMN2 (0.44) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL11236778 0.83 SMN1; SMN2 (0.44) GAACYP2C19SMN1; SMN2MEN1KMT2A

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
JP-11322693-A None JP disclosed
JP-H11322693-A PRODUCTION OF OPTICALLY ACTIVE METHOXYIMINOACETAMIDE DERIVATIVE MITSUBISHI CHEMICAL CORP 1999-11-24 JP disclosed