SCHEMBL3891029

SCHEMBL3891029

COc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCC(=O)OC(C)(C)C)C2=O)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.53
▸ ACP1 P24666 6/20 0.53
▸ CA9 Q16790 2/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ MAPT P10636 5/20 0.51
▸ HTT P42858 4/20 0.51
▸ POLB P06746 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ LMNA P02545 5/20 0.50
▸ FAAH O00519 1/20 0.49
▸ PSMD14 O00487 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL3891039 1.00 PTPN1 (0.53) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3891157 0.90 PTPN1 (0.59) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3891749 0.90 PTPN1 (0.59) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3891738 0.90 PTPN1 (0.59) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3897051 0.84 PTPN1 (0.52) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3897058 0.84 PTPN1 (0.52) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3891123 0.84 CA9 (0.56) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3891119 0.84 CA9 (0.56) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL12013726 0.84 CA9 (0.56) PTPN1ACP1CA9AKR1B1MEN1
SCHEMBL3891042 0.82 PTPN1 (0.54) PTPN1ACP1CA9AKR1B1MEN1

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-8252940-B2 5-substituted-2-imino-thiazolidinone compounds and their use as inhibitors of bacterial infection UNIVERSITY OF WASHINGTON (US) 2012-08-28 — — US disclosed
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 — — WO disclosed
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