SCHEMBL2559232

SCHEMBL2559232

O=Cc1cnn(-c2ccccc2[N+](=O)[O-])c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MITF O75030 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
KMT2A Q03164 2/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL15332658 0.83 PKM (0.47) ERN1SMN1; SMN2PKMALDH1A1HTT
SCHEMBL15332328 0.80 MGLL (0.37) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL9217131 0.78 GAA (0.54) SMN1; SMN2ALDH1A1HTTLMNACYP1A2
SCHEMBL15331814 0.78 KCNN4 (0.46) ERN1SMN1; SMN2ALDH1A1HTTHCAR1
SCHEMBL15331152 0.78 PKM (0.44) SMN1; SMN2PKMALDH1A1HTTLMNA
SCHEMBL2559652 0.76 CA1 (0.41) ERN1SMN1; SMN2PKMALDH1A1HTT
SCHEMBL2559653 0.75 ALDH1A1 (0.47) ERN1SMN1; SMN2PKMALDH1A1LMNA
SCHEMBL29953427 0.74 HCAR1 (0.37) ERN1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL15330680 0.74 MAPT (0.51) SMN1; SMN2ALDH1A1HTTLMNACYP1A2
SCHEMBL15332803 0.72 CA1 (0.53) SMN1; SMN2ALDH1A1HTTLMNACA1

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