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SCHEMBL9252204

SCHEMBL9252204

Cn1c(-c2ccc(C(=O)OCc3ccccc3)cc2C(=N)N)nc2cc(C(=O)NC(CC(=O)OCc3ccccc3)C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)C(=O)OCc3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 4/20 0.40
▸ ERAP2 Q6P179 3/20 0.40
▸ KLKB1 P03952 6/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ GPR132 Q9UNW8 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ PPARG P37231 2/20 0.36

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
SCHEMBL9252266 0.96 ACE (0.38) LNPEPKLKB1HDAC6F2
SCHEMBL9255606 0.95 MMP1 (0.39) LNPEPERAP2KLKB1PTPN1F2
SCHEMBL9246050 0.90 HDAC6 (0.40) LNPEPHDAC6F2PPARG
SCHEMBL9253897 0.87 LNPEP (0.38) LNPEPERAP2ERAP1HDAC6F2
SCHEMBL9252703 0.85 ENPP2 (0.39) HDAC6
SCHEMBL9255461 0.79 HDAC6 (0.42) LNPEPERAP2KLKB1HDAC6PTPN1
SCHEMBL9252253 0.79 HDAC6 (0.46) HDAC6
SCHEMBL9246045 0.72 HDAC6 (0.51) HDAC6
SCHEMBL9250758 0.71 HDAC6 (0.52) HDAC6F2
SCHEMBL9253879 0.70 HDAC6 (0.46) LNPEPERAP2ERAP1HDAC6

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 — — US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 — — EP disclosed