SCHEMBL30003510

SCHEMBL30003510

COc1ccc(OC)c2c1C(=O)C(N)=C(Cl)C2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
KDM4E B2RXH2 4/20 0.74
RAB9A P51151 3/20 0.74
MAPK1 P28482 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
HSP90AA1 P07900 2/20 0.74
S1PR4 O95977 1/20 0.74
G6PD P11413 1/20 0.74
S1PR1 P21453 1/20 0.74
OPRK1 P41145 1/20 0.74
HTT P42858 1/20 0.74
CACNA1B Q00975 1/20 0.74
APBA1 Q02410 1/20 0.74
MCL1 Q07820 1/20 0.74
APOBEC3G Q9HC16 1/20 0.74
TLR9 Q9NR96 1/20 0.74
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL23271721 1.00 MAPT (0.74) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL30003571 0.86 MAPT (1.00) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL14662869 0.86 MAPT (1.00) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL30003222 0.81 EGFR (0.54) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL23271950 0.81 EGFR (0.54) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL11134106 0.76 MAPT (0.73) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL25167179 0.76 MAPT (0.78) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL498449 0.74 ALDH1A1 (0.76) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL11243983 0.74 ALDH1A1 (0.76) MAPTKDM4ERAB9AMAPK1NPSR1
SCHEMBL498594 0.74 ALDH1A1 (0.76) MAPTKDM4ERAB9AMAPK1NPSR1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed