SCHEMBL2560068

SCHEMBL2560068

O=Cc1c(-c2cccc([N+](=O)[O-])c2)nn(-c2ccc(F)cc2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PTGS1 P23219 1/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 2/20 0.40
NPY5R Q15761 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL15331522 0.90 MEN1 (0.52) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL15329476 0.89 MAPT (0.44) MEN1KMT2APTGS1MAPTNPSR1
SCHEMBL2555247 0.89 PTGS1 (0.42) MEN1KMT2APTGS1MAPTSRC
SCHEMBL2559860 0.88 RAB9A (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL2559489 0.87 PTGS1 (0.42) MEN1KMT2APTGS1MAPTNPSR1
SCHEMBL2557102 0.86 SRC (0.55) MEN1KMT2APTGS1MAPTNPSR1
SCHEMBL15331337 0.86 SRC (0.55) MEN1KMT2APTGS1MAPTNPSR1
SCHEMBL2554572 0.85 DHODH (0.40) MEN1KMT2APTGS1NPSR1ALDH1A1
SCHEMBL15330613 0.84 NPC1 (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL2562719 0.83 NPC1 (0.50) MEN1KMT2AMAPTNPSR1ALDH1A1

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