SCHEMBL2559652

SCHEMBL2559652

O=Cc1c(Br)nn(-c2ccccc2[N+](=O)[O-])c1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HCAR1 Q9BXC0 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ERN1 O75460 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15332803 0.84 CA1 (0.53) CA1CA2KMT2AHTTALDH1A1
SCHEMBL2554684 0.80 CA1 (0.44) CA1CA2KMT2AALDH1A1SMN1; SMN2
SCHEMBL2553414 0.80 CA2 (0.40) CA1CA2KMT2AHTTALDH1A1
SCHEMBL15330380 0.78 CA1 (0.42) CA1CA2KMT2AHTTALDH1A1
SCHEMBL15331493 0.77 KCNN4 (0.40) KMT2AHTTALDH1A1SMN1; SMN2HCAR1
SCHEMBL15332760 0.77 MAPK14 (0.40) KMT2AALDH1A1SMN1; SMN2HCAR1PKM
SCHEMBL2559232 0.76 ERN1 (0.42) CA1CA2KMT2AHTTALDH1A1
SCHEMBL2563136 0.75 SMN1; SMN2 (0.45) CA1CA2KMT2AALDH1A1SMN1; SMN2
SCHEMBL2562753 0.75 PKM (0.40) CA1CA2KMT2AHTTALDH1A1
SCHEMBL2558155 0.74 MAPT (0.46) KMT2AHTTALDH1A1SMN1; SMN2PKM

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