SCHEMBL3887230

SCHEMBL3887230

COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H](CCCN)C(=O)N[C@@H](Cc3ccc(-c4ccccc4)cc3)C(N)=O)C2=O)cc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.43
▸ ACP1 P24666 7/20 0.43
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PTPN2 P17706 5/20 0.41
▸ FAAH O00519 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CA9 Q16790 2/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ BAK1 Q16611 1/20 0.39

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
SCHEMBL11996503 1.00 PTPN1 (0.43) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL11996502 1.00 PTPN1 (0.43) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL3963275 0.91 PTPN1 (0.40) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL3963288 0.91 PTPN1 (0.40) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL3963264 0.91 PTPN1 (0.40) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL3890240 0.88 FAAH (0.44) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL3891185 0.86 MAPT (0.41) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL11996412 0.85 PTGES (0.47) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL3901193 0.85 PTGES (0.47) PTPN1ACP1MAPTALDH1A1PTPN2
SCHEMBL3893584 0.85 PTGES (0.47) PTPN1ACP1MAPTALDH1A1PTPN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US claimed
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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