SCHEMBL2555161

SCHEMBL2555161

NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
LMNA P02545 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 6/20 0.49
HPGD P15428 2/20 0.49
TTR P02766 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
VCAM1 P19320 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRSS1 P07477 4/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
GRIN2D O15399 2/20 0.45

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
SCHEMBL31501687 0.89 ALDH1A1 (0.59) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL15333794 0.89 ALDH1A1 (0.59) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL2555859 0.87 MEN1 (0.61) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL2557303 0.87 MAPT (0.52) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL2561864 0.86 ALDH1A1 (0.53) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL531660 0.84 ALDH1A1 (0.54) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL2925357 0.83 ALDH1A1 (0.53) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL2561787 0.83 ALDH1A1 (0.64) ALDH1A1ALDH5A1ABATLMNACYP1A2
SCHEMBL15330441 0.82 MAPT (0.53) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL15330134 0.82 ALDH5A1 (0.50) ALDH1A1ALDH5A1ABATLMNACYP1A2

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