SCHEMBL8290217

SCHEMBL8290217

Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 6/20 0.76
▸ MAPT P10636 2/20 0.65
▸ APEX1 P27695 1/20 0.60
▸ PTPN22 Q9Y2R2 2/20 0.59
▸ ITGB2 P05107 1/20 0.56
▸ ITGAM P11215 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3894018 0.90 MAP3K5 (0.79) MAP3K5MAPTAPEX1ITGB2ITGAM
SCHEMBL13056334 0.90 MAP3K5 (0.79) MAP3K5MAPTAPEX1ITGB2ITGAM
SCHEMBL3894013 0.90 MAP3K5 (0.79) MAP3K5MAPTAPEX1ITGB2ITGAM
SCHEMBL12340045 0.89 ITGB2 (0.72) MAP3K5MAPTITGB2ITGAMMEN1
SCHEMBL13056333 0.88 MAP3K5 (0.72) MAP3K5MAPTAPEX1PTPN22MEN1
SCHEMBL13081591 0.88 MAP3K5 (0.75) MAP3K5MAPTAPEX1PTPN22KDM4E
SCHEMBL3905863 0.86 MAP3K5 (1.00) MAP3K5MAPTAPEX1MEN1KMT2A
SCHEMBL3905865 0.86 MAP3K5 (1.00) MAP3K5MAPTAPEX1MEN1KMT2A
SCHEMBL16492646 0.84 PTPN22 (0.71) MAP3K5MAPTAPEX1PTPN22MEN1
SCHEMBL13762526 0.84 PTPN22 (0.71) MAP3K5MAPTAPEX1PTPN22MEN1

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-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO disclosed
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