SCHEMBL25564465

SCHEMBL25564465

COc1cc(Oc2ccccn2)cc2onc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.38
KAT7 O95251 3/20 0.38
KAT6B Q8WYB5 2/20 0.38
MAP4K4 O95819 1/20 0.35
PTGS2 P35354 1/20 0.34
NPC1 O15118 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAOA P21397 1/20 0.34
MAPT P10636 1/20 0.34
IP6K1 Q92551 2/20 0.34
IP6K3 Q96PC2 2/20 0.34
IP6K2 Q9UHH9 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL31432518 1.00 KAT6A (0.38) KAT6AKAT7KAT6BMAP4K4PTGS2
SCHEMBL25561707 0.78 KAT6A (0.67) KAT6AKAT7KAT6B
SCHEMBL30360820 0.78 KAT6A (0.67) KAT6AKAT7KAT6B
SCHEMBL29652491 0.78 NPC1 (0.48) KAT6AKAT7KAT6BNPC1ALDH1A1
SCHEMBL21596901 0.78 NPC1 (0.48) KAT6AKAT7KAT6BNPC1ALDH1A1
SCHEMBL25564467 0.77 KAT6A (0.42) KAT6AKAT7KAT6B
SCHEMBL25566016 0.76 HCRTR1 (0.32) KAT6AKAT7KAT6BALDH1A1KDM4E
SCHEMBL4796565 0.73 ALDH1A1 (0.53) MAP4K4PTGS2ALDH1A1KDM4EMEN1
SCHEMBL21596793 0.72 FYN (0.44) MAP4K4NPC1ALDH1A1MAPTKDM4E
SCHEMBL21596846 0.71 LTB4R (0.34) KAT6AKAT7KAT6BMAP4K4ALDH1A1

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-2023088233-A1 LYSINE ACETYLTRANSFERASE 6A (KAT6A) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-25 WO disclosed