SCHEMBL29382147

SCHEMBL29382147

COc1ccc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 1.00
▸ TCF4 P15884 1/20 1.00
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ POLB P06746 3/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ PSMD14 O00487 4/20 0.73
▸ KLKB1 P03952 1/20 0.73
▸ CTDSP1 Q9GZU7 1/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ TNNI3 P19429 1/20 0.71
▸ TNNT2 P45379 1/20 0.71
▸ TNNC1 P63316 1/20 0.71
▸ PTPN12 Q05209 3/20 0.70
▸ PTPN22 Q9Y2R2 3/20 0.70
▸ GPR35 Q9HC97 2/20 0.70
▸ PTPN7 P35236 2/20 0.69
▸ MAPT P10636 1/20 0.69
▸ APAF1 O14727 1/20 0.68
▸ CACNA1B Q00975 1/20 0.68

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
SCHEMBL12006900 1.00 CTNNB1 (1.00) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL29373121 1.00 CTNNB1 (1.00) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL25385999 1.00 CTNNB1 (1.00) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL12006921 0.94 CTNNB1 (0.88) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL12008462 0.93 CTNNB1 (0.87) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL12008552 0.93 CTNNB1 (0.87) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL13446890 0.93 CTNNB1 (0.87) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL12008467 0.93 CTNNB1 (0.86) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL12008732 0.92 CTNNB1 (0.85) CTNNB1TCF4MEN1KMT2APOLB
SCHEMBL12006894 0.92 CTNNB1 (0.85) CTNNB1TCF4MEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022031952-A9 TREATMENTS FOR CANCERS HAVING KRAS MUTATIONS CITY OF HOPE (US) 2022-04-07 — — WO disclosed
WO-2022031952-A2 TREATMENTS FOR CANCERS HAVING KRAS MUTATIONS CITY OF HOPE (US) 2022-02-10 — — WO disclosed
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