SCHEMBL2558155

SCHEMBL2558155

O=Cc1c(Br)nn(-c2ccc([N+](=O)[O-])cc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 3/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.38

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
SCHEMBL29954581 0.83 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2559364 0.83 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL15331341 0.81 SMN1; SMN2 (0.48) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL15331337 0.79 SRC (0.55) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2557102 0.79 SRC (0.55) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL15330963 0.79 PTPN11 (0.49) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2562844 0.78 CA1 (0.37) ALDH1A1KMT2AMEN1POLBPTGS2
SCHEMBL2556063 0.78 PTGS1 (0.37) MAPTKMT2AMEN1POLBNPC1
SCHEMBL2561098 0.78 IDO1 (0.45) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL2555247 0.76 PTGS1 (0.42) MAPTALDH1A1KMT2AMEN1POLB

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