SCHEMBL23484064

SCHEMBL23484064

COC(=O)c1cc(-c2c[nH]cc2C(=O)O)cn1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TCF4 P15884 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34

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
SCHEMBL25015538 0.86 OPRM1 (0.57) OPRM1OPRD1MEN1KMT2AL3MBTL1
SCHEMBL20816043 0.82 OPRM1 (0.47) OPRM1OPRD1KMT2AL3MBTL1KDM4E
SCHEMBL10125216 0.78 POLB (0.45) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL20816040 0.77 OPRM1 (0.48) OPRM1OPRD1MEN1KMT2AL3MBTL1
SCHEMBL17973534 0.75 CYP2C9 (0.42) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL1719650 0.75 IKBKB (0.48) —
SCHEMBL2184458 0.74 CA1 (0.43) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL3360534 0.74 CYP2C9 (0.41) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL30877445 0.74 CYP2C9 (0.41) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL14510748 0.73 OPRM1 (0.34) OPRM1OPRD1MEN1KMT2APOLB

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-2021113347-A1 TARGETING MB2 OF THE MYC ONCOGENE AND ITS INTERACTION WITH TRRAP IN CANCER THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-06-10 — — WO disclosed
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