SCHEMBL3896567

SCHEMBL3896567

COc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.83
▸ S1PR1 P21453 6/20 0.76
▸ S1PR3 Q99500 6/20 0.76
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ MAPT P10636 4/20 0.67
▸ LMNA P02545 1/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ CA9 Q16790 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.63
▸ MAP4K4 O95819 1/20 0.59
▸ PIM1 P11309 1/20 0.59
▸ DYRK1A Q13627 1/20 0.59
▸ PIM3 Q86V86 1/20 0.59
▸ MKNK2 Q9HBH9 1/20 0.59
▸ MAP4K5 Q9Y4K4 1/20 0.59
▸ AKR1B1 P15121 1/20 0.58
▸ PTPN1 P18031 1/20 0.58
▸ HPGD P15428 1/20 0.56

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
SCHEMBL3896565 1.00 FAAH (0.83) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL3896218 0.94 FAAH (0.74) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL3896219 0.94 FAAH (0.74) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17309376 0.91 FAAH (1.00) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL19481508 0.91 FAAH (1.00) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL31310305 0.90 FAAH (0.70) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL12013735 0.88 FAAH (0.81) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL19481527 0.87 MAPT (0.80) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL17302141 0.85 FAAH (0.84) FAAHS1PR1S1PR3MEN1KMT2A
SCHEMBL11319299 0.85 FAAH (0.84) FAAHS1PR1S1PR3MEN1KMT2A

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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