SCHEMBL8032355

SCHEMBL8032355

COc1ccc2sc(C)[n+](C)c2c1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.97
▸ ALDH1A1 P00352 4/20 0.97
▸ KDM4E B2RXH2 4/20 0.97
▸ TDP1 Q9NUW8 2/20 0.97
▸ GAA P10253 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ APOBEC3A P31941 1/20 0.46
▸ BACE1 P56817 1/20 0.42

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
Iodide SCHEMBL4015595 0.98 MAPT (1.00) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL13652077 0.86 MAPT (0.73) MAPTALDH1A1KDM4ETDP1GAA
Iodide SCHEMBL31063745 0.84 MAPT (0.76) MAPTALDH1A1KDM4ETDP1GAA
Iodide SCHEMBL29039127 0.84 MAPT (0.76) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL13652085 0.81 MAPT (0.67) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL14403381 0.78 MAPT (0.75) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL14434817 0.77 MAPT (0.61) MAPTALDH1A1KDM4ETDP1GAA
Iodide SCHEMBL2987038 0.77 MAPT (0.78) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL13646750 0.76 MAPT (0.66) MAPTALDH1A1KDM4ETDP1GAA
Iodide SCHEMBL11599406 0.76 MAPT (0.62) MAPTALDH1A1KDM4ETDP1GAA

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-4874866-A AROMATIC TELLURIUM-NITROGEN COMPOUNDS; DYES EASTMAN KODAK COMPANY (US) 1989-10-17 — — US claimed
WO-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 — — WO disclosed
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