SCHEMBL12292503

SCHEMBL12292503

CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccco4)C3=O)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.48
▸ ITGB2 P05107 3/20 0.47
▸ ITGAM P11215 3/20 0.47
▸ PTPN22 Q9Y2R2 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ CDK2 P24941 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MAP3K5 Q99683 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL12292499 0.87 MEN1 (0.49) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12292507 0.86 ITGB2 (0.51) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12292501 0.84 MEN1 (0.47) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12292506 0.83 ENPP2 (0.54) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12292504 0.83 MEN1 (0.52) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12292497 0.82 ENPP2 (0.69) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL683937 0.82 ITGB2 (0.58) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12292505 0.82 ENPP2 (0.58) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12292508 0.81 ENPP2 (0.57) ENPP2ITGB2ITGAMPTPN22MEN1
SCHEMBL12291201 0.81 MEN1 (0.65) ENPP2ITGB2ITGAMPTPN22MEN1

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-2011133719-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 — — WO disclosed
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