SCHEMBL7973011

SCHEMBL7973011

CN(C)c1ccc2c(-c3ccc(N=C=S)cc3C(=O)O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CA9 Q16790 13/20 0.43
▸ CA1 P00915 12/20 0.43
▸ CA2 P00918 12/20 0.43
▸ CA12 O43570 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ P2RY6 Q15077 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATM Q13315 1/20 0.40
▸ PLEC Q15149 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL14088823 0.89 MEN1 (0.56) USP2L3MBTL1CA9CA1CA2
SCHEMBL2608622 0.88 USP2 (0.53) USP2L3MBTL1CA9CA1CA2
SCHEMBL2755000 0.87 USP2 (0.68) USP2L3MBTL1CA9CA1CA2
SCHEMBL7970138 0.83 USP2 (0.57) USP2L3MBTL1CA9CA1CA2
SCHEMBL14958553 0.83 MEN1 (0.56) USP2L3MBTL1CA9CA1CA2
SCHEMBL24352949 0.81 USP2 (0.72) USP2L3MBTL1CA9CA1CA2
SCHEMBL29555004 0.81 P2RY6 (0.64) USP2L3MBTL1CA9CA1CA2
Sulfuric Acid SCHEMBL592952 0.79 USP2 (0.52) USP2L3MBTL1CA9CA1CA2
Sulfuric Acid SCHEMBL30598807 0.79 USP2 (0.52) USP2L3MBTL1CA9CA1CA2
SCHEMBL12216725 0.78 MEN1 (0.55) USP2L3MBTL1CA9CA1CA2

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
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 — — US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 — — US disclosed
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