SCHEMBL25566914

SCHEMBL25566914

COc1cccc(OC)c1[S+]([O-])Nc1noc2cc(Oc3ccccn3)c3c(c12)OCC3

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.35
KAT7 O95251 3/20 0.35
KAT6B Q8WYB5 2/20 0.35
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SGMS1 Q86VZ5 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30

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
SCHEMBL25565052 0.88
SCHEMBL25565025 0.88 HTR1A (0.33) KAT6AKAT7KAT6BHTR1AADRA1D
SCHEMBL25561774 0.82 KAT6A (0.55) KAT6AKAT7KAT6B
SCHEMBL30360835 0.82 KAT6A (0.55) KAT6AKAT7KAT6B
SCHEMBL25562267 0.81 KAT6A (0.49) KAT6AKAT7KAT6B
SCHEMBL30360809 0.81 KAT6A (0.49) KAT6AKAT7KAT6B
SCHEMBL25564467 0.80 KAT6A (0.42) KAT6AKAT7KAT6BSGMS1SGMS2
SCHEMBL30360831 0.78 KAT6A (0.53) KAT6AKAT7KAT6B
SCHEMBL25562126 0.78 KAT6A (0.53) KAT6AKAT7KAT6B
SCHEMBL30360821 0.76 KAT6A (0.48) KAT6AKAT7KAT6B

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