SCHEMBL30577601

SCHEMBL30577601

COC(=O)c1cc(C=O)c2sccc2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ NQO2 P16083 2/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL30577614 0.87 PDE7A (0.40) RXFP1L3MBTL1CTDSP1TDP1ADORA2A
SCHEMBL9379712 0.82 LCK (0.40) RXFP1L3MBTL1CTDSP1TDP1ADORA2A
SCHEMBL30577613 0.81 NQO2 (0.46) RXFP1L3MBTL1CTDSP1TDP1ADORA2A
SCHEMBL30540493 0.77 MAPT (0.42) L3MBTL1NPC1KMT2AMAOAACHE
SCHEMBL30577623 0.73 MAPK1 (0.38) NPC1KDM4EMAPTHPGDERN1
SCHEMBL30832432 0.71 MAPK1 (0.41) RXFP1L3MBTL1NPC1KMT2AMEN1
SCHEMBL7534470 0.71 ALDH1A1 (0.44) L3MBTL1NPC1KMT2AMAOAACHE
SCHEMBL984339 0.71 MAPK1 (0.41) RXFP1L3MBTL1NPC1KMT2AMEN1
SCHEMBL30836700 0.70 MAPK1 (0.43) L3MBTL1NPC1KMT2AMEN1KDM4E
SCHEMBL23724874 0.69 MAPK1 (0.42) L3MBTL1NPC1KDM4EMAPTERN1

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-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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