SCHEMBL30289844

SCHEMBL30289844

COc1cccc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.46
▸ MMP13 P45452 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ STK10 O94804 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ STK33 Q9BYT3 1/20 0.41
▸ SLK Q9H2G2 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
SCHEMBL30289833 0.86 MAPT (0.52) MAPTKMT2AMEN1KDM4EMMP13
SCHEMBL30289860 0.81 MAPT (0.45) MAPTKMT2AMEN1KDM4EPARP1
SCHEMBL30289855 0.79 MEN1 (0.60) MAPTKMT2AMEN1KDM4ETP53
SCHEMBL30289873 0.76 KDM4E (0.71) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL32666079 0.71 KDM4E (0.67) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL6930611 0.70 RAB9A (0.48) KMT2AMEN1KDM4EMMP13ALDH1A1
SCHEMBL30289868 0.70 MAPT (0.52) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL30289853 0.70 MAPT (0.48) MAPTKMT2AMEN1KDM4EPARP1
SCHEMBL30289897 0.70 KMT2A (0.75) MAPTKMT2AMEN1KDM4EMMP13
SCHEMBL2004452 0.69 MEN1 (0.60) MAPTKMT2AMEN1ALDH1A1HPGD

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
WO-2023054759-A1 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME 한국화학연구원 2023-04-06 — — WO disclosed
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