SCHEMBL3889652

SCHEMBL3889652

COc1ccc(N2C(=O)C(=Cc3ccncc3)SC2=Nc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.76
▸ CA9 Q16790 8/20 0.68
▸ LMNA P02545 2/20 0.64
▸ AURKA O14965 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ S1PR1 P21453 2/20 0.61
▸ S1PR3 Q99500 2/20 0.61
▸ MEN1 O00255 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL3889647 1.00 FAAH (0.76) FAAHCA9LMNAAURKATDP1
SCHEMBL17302231 0.92 FAAH (0.89) FAAHCA9LMNAS1PR1S1PR3
SCHEMBL11319299 0.90 FAAH (0.84) FAAHCA9LMNAS1PR1S1PR3
SCHEMBL17302141 0.90 FAAH (0.84) FAAHCA9LMNAS1PR1S1PR3
SCHEMBL3901529 0.89 AURKA (0.72) FAAHCA9LMNAAURKATDP1
SCHEMBL3901533 0.89 AURKA (0.72) FAAHCA9LMNAAURKATDP1
SCHEMBL17295325 0.88 FAAH (0.84) FAAHCA9LMNAS1PR1S1PR3
SCHEMBL17302128 0.88 FAAH (0.89) FAAHCA9LMNAS1PR1S1PR3
SCHEMBL17295326 0.88 FAAH (0.84) FAAHCA9LMNAS1PR1S1PR3
SCHEMBL3887237 0.88 FAAH (0.80) FAAHCA9LMNAS1PR1S1PR3

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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