SCHEMBL3887661

SCHEMBL3887661

COc1cc(C=C2SC(=Nc3ccccc3)N(C(Cc3ccncc3)C(=O)NC(CCCNC(=N)N)C(N)=O)C2=O)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 11/20 0.46
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN1 P18031 4/20 0.39
▸ ACP1 P24666 3/20 0.39
▸ CA2 P00918 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTPN2 P17706 1/20 0.37

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
SCHEMBL11996413 1.00 CA9 (0.46) CA9MAPTALDH1A1MEN1POLB
SCHEMBL11996394 1.00 CA9 (0.46) CA9MAPTALDH1A1MEN1POLB
SCHEMBL3891185 0.94 MAPT (0.41) CA9MAPTALDH1A1MEN1POLB
SCHEMBL3890600 0.89 PTGES (0.45) CA9MAPTALDH1A1MEN1POLB
SCHEMBL3897116 0.89 PTGES (0.45) CA9MAPTALDH1A1MEN1POLB
SCHEMBL3897108 0.89 PTGES (0.45) CA9MAPTALDH1A1MEN1POLB
SCHEMBL3890606 0.89 PTGES (0.45) CA9MAPTALDH1A1MEN1POLB
SCHEMBL11996460 0.85 PTGES (0.43) CA9MAPTALDH1A1MEN1POLB
SCHEMBL11996461 0.85 PTGES (0.43) CA9MAPTALDH1A1MEN1POLB
SCHEMBL3896015 0.85 PTGES (0.43) CA9MAPTALDH1A1MEN1POLB

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-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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