SCHEMBL2553315

SCHEMBL2553315

O=Cc1cccc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.56
▸ TRIM33 Q9UPN9 1/20 0.56
▸ ERN1 O75460 5/20 0.50
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALDH5A1 P51649 1/20 0.44
▸ ABAT P80404 1/20 0.44
▸ UNG P13051 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ BAD Q92934 1/20 0.43
▸ DTYMK P23919 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ KCNMA1 Q12791 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ VCAM1 P19320 1/20 0.41

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
SCHEMBL2559459 0.87 ERN1 (0.50) TRIM24TRIM33ERN1ALDH5A1ABAT
SCHEMBL1515808 0.84 ALDH5A1 (0.62) ERN1ALDH5A1ABATUNGTSHR
SCHEMBL5193454 0.84 CRHBP (0.59) TSHRDTYMKABCB1CRHBPCRHR2
SCHEMBL8375405 0.83 TDP1 (0.52) ERN1TSHRDTYMKABCB1CRHBP
Formaldehyde SCHEMBL27611540 0.81 CRHBP (0.56) TSHRDTYMKABCB1CRHBPCRHR2
SCHEMBL17177737 0.80 DTYMK (0.49) ERN1TSHRDTYMKABCB1CRHBP
SCHEMBL12394318 0.80 DCLRE1B (0.56) ERN1TSHRABCB1CRHBPCRHR2
SCHEMBL5195739 0.80 DCLRE1B (0.56) ERN1TSHRBCL2L1BADABCB1
SCHEMBL2558636 0.78 ALDH1A1 (0.48) TRIM24TRIM33UNGTDP1TRPM2
SCHEMBL2560683 0.78 ACMSD (0.67) TRIM24TRIM33ERN1CA12CA1

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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