SCHEMBL2559653

SCHEMBL2559653

O=Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
XDH P47989 1/20 0.45
MAPT P10636 4/20 0.42
PTGS2 P35354 1/20 0.40
ERN1 O75460 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PKM P14618 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL15330680 0.83 MAPT (0.51) ALDH1A1KMT2AMEN1MAPTIDO1
SCHEMBL15330709 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1XDHMAPT
SCHEMBL15330839 0.81 RAB9A (0.44) ALDH1A1KMT2AMEN1MAPTPTGS2
SCHEMBL15332467 0.78 PTGS1 (0.43) ALDH1A1KMT2AMEN1MAPTPTGS2
SCHEMBL15331954 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL2559232 0.75 ERN1 (0.42) ALDH1A1KMT2AMAPTPTGS2ERN1
SCHEMBL29951366 0.75 HIF1A (0.45) KMT2AMEN1XDHMAPTPTGS2
SCHEMBL2558155 0.73 MAPT (0.46) ALDH1A1KMT2AMEN1MAPTPTGS2
SCHEMBL15330318 0.72 LMNA (0.41) ALDH1A1MAPTIDO1TDO2SMN1; SMN2
SCHEMBL15332784 0.72 PTGS2 (0.36) ALDH1A1PTGS2ERN1POLB

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