SCHEMBL2557296

SCHEMBL2557296

Cc1cc(C)c2c(C=O)c(-c3ccccc3[N+](=O)[O-])[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL2561797 0.83 AHR (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29951989 0.81 SMN1; SMN2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15332636 0.80 TNKS2 (0.41) GAAMGAMSIMGAM2KMT2A
SCHEMBL15332499 0.80 TNKS (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15330640 0.80 KMT2A (0.46) GAAMGAMSIMGAM2MAOB
SCHEMBL15332936 0.79 GAA (0.41) GAAMGAMSIMGAM2MAOB
SCHEMBL29954488 0.78 SMN1; SMN2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29953250 0.78 MMP2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2561872 0.77 HSD17B10 (0.42) GAAMGAMSIMGAM2MAOB
SCHEMBL15332615 0.76 MGAM (0.45) GAAMGAMSIMGAM2HSD17B10

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