SCHEMBL20764595

SCHEMBL20764595

CC(C)Oc1c([N+](=O)[O-])ccc(Nc2ccc(C(=O)OC(C)(C)C)cc2)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.44
▸ CTSL P07711 4/20 0.44
▸ MAPT P10636 4/20 0.42
▸ MYC P01106 3/20 0.42
▸ MAX P61244 3/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL30625926 0.87 MEN1 (0.49) CTSVCTSLMAPTMYCMAX
SCHEMBL20764575 0.87 MEN1 (0.49) CTSVCTSLMAPTMYCMAX
SCHEMBL17775441 0.75 MEN1 (0.47) CTSVCTSLMAPTMYCMAX
SCHEMBL16369625 0.74 CTSV (0.48) CTSVCTSLMAPTMYCMAX
SCHEMBL17775433 0.72 MYC (0.54) CTSVCTSLMAPTMYCMAX
SCHEMBL16369635 0.71 MYC (0.62) CTSVCTSLMAPTMYCMAX
SCHEMBL28511094 0.69 MYC (0.51) CTSVCTSLMAPTMYCMAX
SCHEMBL6276534 0.69 MEN1 (0.47) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL17403333 0.69 MAPT (0.59) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL31237027 0.69 MAPT (0.47) MAPTKMT2AMEN1LMNAHTT

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
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO disclosed
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