SCHEMBL2559459

SCHEMBL2559459

O=Cc1ccc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.50
▸ ALDH5A1 P51649 1/20 0.47
▸ ABAT P80404 1/20 0.47
▸ VCAM1 P19320 1/20 0.44
▸ DTYMK P23919 1/20 0.42
▸ TRIM24 O15164 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ ALDH3A1 P30838 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ TRPM2 O94759 1/20 0.40

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
SCHEMBL1515808 0.87 ALDH5A1 (0.62) ERN1ALDH5A1ABATVCAM1DTYMK
SCHEMBL2553315 0.87 TRIM24 (0.56) ERN1ALDH5A1ABATVCAM1DTYMK
SCHEMBL8375405 0.87 TDP1 (0.52) ERN1DTYMKABCB1CRHBPCRHR2
SCHEMBL6226141 0.87 ERN1 (0.43) ERN1DTYMKABCB1CRHBPCRHR2
SCHEMBL5193454 0.84 CRHBP (0.59) DTYMKABCB1CRHBPCRHR2KCNMA1
SCHEMBL17177737 0.84 DTYMK (0.49) ERN1DTYMKABCB1CRHBPCRHR2
SCHEMBL8960342 0.83 ERN1 (0.57) ERN1DTYMKABCB1CRHBPCRHR2
SCHEMBL5196091 0.81 BCL2L1 (0.46) ERN1DTYMKABCB1CRHBPCRHR2
Formaldehyde SCHEMBL27611540 0.81 CRHBP (0.56) DTYMKABCB1CRHBPCRHR2KCNMA1
SCHEMBL6225779 0.81 MCL1 (0.54) DTYMKABCB1CRHBPCRHR2KCNMA1

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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