SCHEMBL28817232

SCHEMBL28817232

CCOC(=O)c1scnc1-c1cc(OC)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 7/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PPARG P37231 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
SCHEMBL28817222 0.88 RAB9A (0.32) HPGDCYP3A4MAPTALDH1A1RAB9A
SCHEMBL28817180 0.81 ALDH1A1 (0.50) HPGDCYP3A4MAPTALDH1A1GAA
SCHEMBL17843992 0.79 CDC7 (0.46) HPGDCYP3A4MAPTALDH1A1GAA
SCHEMBL29784790 0.74 CDC7 (0.38) HPGDCYP3A4MAPTALDH1A1GAA
SCHEMBL17844000 0.72 MAPT (0.44) HPGDMAPTALDH1A1NPSR1RAB9A
SCHEMBL28817179 0.72 CDC7 (0.34) HPGDCYP3A4MAPTALDH1A1GAA
SCHEMBL1560797 0.71 PTPN1 (0.47) HPGDMAPTALDH1A1GAANPSR1
SCHEMBL17843999 0.68 ALDH1A1 (0.43) HPGDMAPTALDH1A1RAB9AMEN1
SCHEMBL9732800 0.68 ALDH1A1 (0.50) MAPTALDH1A1GAAMAPK1NPSR1
SCHEMBL29706009 0.67 HSD17B10 (0.52) HPGDMAPTALDH1A1GAAMAPK1

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
CN-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed