SCHEMBL3891185

SCHEMBL3891185

COc1cc(C=C2SC(=Nc3ccccc3)N([C@@H](Cc3ccc(-c4ccccc4)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C2=O)cc(OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PTPN1 P18031 7/20 0.41
▸ ACP1 P24666 6/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PTPN2 P17706 4/20 0.39
▸ FAAH O00519 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ CA9 Q16790 2/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ BAK1 Q16611 1/20 0.38
▸ NPY4R P50391 4/20 0.37
▸ NPY1R P25929 2/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY5R Q15761 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 0.94 CA9 (0.46) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL3887661 0.94 CA9 (0.46) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL11996394 0.94 CA9 (0.46) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL3890600 0.90 PTGES (0.45) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL3897116 0.90 PTGES (0.45) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL3897108 0.90 PTGES (0.45) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL3890606 0.90 PTGES (0.45) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL11996503 0.86 PTPN1 (0.43) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL3887230 0.86 PTPN1 (0.43) MAPTALDH1A1PTPN1ACP1MEN1
SCHEMBL11996502 0.86 PTPN1 (0.43) MAPTALDH1A1PTPN1ACP1MEN1

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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