SCHEMBL2553414

SCHEMBL2553414

O=Cc1c(-c2ccccc2F)nn(-c2ccccc2[N+](=O)[O-])c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 5/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.35
TDP1 Q9NUW8 2/20 0.34
GFER P55789 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 2/20 0.32
MITF O75030 1/20 0.32
CCR6 P51684 1/20 0.32
KCNN4 O15554 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL2563136 0.91 SMN1; SMN2 (0.45) CA2CA1SMN1; SMN2L3MBTL1MAPT
SCHEMBL2555204 0.86 SMN1; SMN2 (0.40) CA2CA1SMN1; SMN2L3MBTL1MAPT
SCHEMBL29951228 0.85 KCNN4 (0.42) KMT2AKCNN4
SCHEMBL2554684 0.84 CA1 (0.44) CA2CA1SMN1; SMN2MAPTALDH1A1
SCHEMBL15332803 0.83 CA1 (0.53) CA2CA1SMN1; SMN2MAPTALDH1A1
SCHEMBL2561098 0.82 IDO1 (0.45) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL15330380 0.81 CA1 (0.42) CA2CA1SMN1; SMN2MAPTALDH1A1
SCHEMBL15329813 0.81 KCNN4 (0.44) MAPTALDH1A1LMNATDP1KMT2A
SCHEMBL2559652 0.80 CA1 (0.41) CA2CA1SMN1; SMN2MAPTALDH1A1
SCHEMBL2555494 0.80 NPC1 (0.38) L3MBTL1MAPTALDH1A1LMNATDP1

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