SCHEMBL2558636

SCHEMBL2558636

O=Cc1cccc(-c2cc([N+](=O)[O-])ccc2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ MYC P01106 1/20 0.46
▸ MAX P61244 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ UNG P13051 1/20 0.42

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
SCHEMBL9186591 0.86 TDP1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MYC
SCHEMBL6536344 0.86 TDP1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MYC
SCHEMBL15331494 0.85 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MYC
SCHEMBL31376933 0.83 MYC (0.62) ALDH1A1TDP1CYP3A4ALOX15MYC
SCHEMBL630072 0.83 MYC (0.62) ALDH1A1TDP1CYP3A4ALOX15MYC
SCHEMBL5696845 0.81 MAPT (0.56) ALDH1A1TDP1CYP3A4ALOX15MYC
SCHEMBL2553315 0.78 TRIM24 (0.56) ALDH1A1TDP1TRIM24TRIM33MAPT
SCHEMBL9474889 0.78 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15MYC
SCHEMBL2562602 0.78 TRIM24 (0.51) ALDH1A1TRIM24TRIM33MEN1LMNA
SCHEMBL2560114 0.78 TRIM24 (0.51) ALDH1A1TRIM24TRIM33MAPTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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