SCHEMBL5787551

SCHEMBL5787551

O=C1SC(=Cc2cccc(O)c2O)C(=O)N1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.64
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NSD2 O96028 1/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ APOBEC3G Q9HC16 1/20 0.58
▸ PIM1 P11309 1/20 0.55
▸ CFTR P13569 1/20 0.50
▸ AMY1A P0DUB6 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ PTPN1 P18031 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ATM Q13315 1/20 0.45

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
SCHEMBL5787549 1.00 NLRP3 (0.64) NLRP3MEN1KMT2ANSD2HSP90AA1
SCHEMBL5460282 0.89 MEN1 (0.60) NLRP3MEN1KMT2ANSD2HSP90AA1
SCHEMBL5460280 0.89 MEN1 (0.60) NLRP3MEN1KMT2ANSD2HSP90AA1
SCHEMBL5457570 0.84 MEN1 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5457567 0.84 MEN1 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5461454 0.84 MEN1 (0.61) NLRP3MEN1KMT2ANSD2HSP90AA1
SCHEMBL5461449 0.84 MEN1 (0.61) NLRP3MEN1KMT2ANSD2HSP90AA1
SCHEMBL5468492 0.83 MEN1 (0.59) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5468486 0.83 MEN1 (0.59) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5464254 0.82 MEN1 (0.48) NLRP3MEN1KMT2ANSD2HSP90AA1

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
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP disclosed
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