SCHEMBL2556243

SCHEMBL2556243

O=Cc1cc([N+](=O)[O-])ccc1OCc1sccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CCR5 P51681 4/20 0.39
CA9 Q16790 2/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
CYP19A1 P11511 1/20 0.36
KDR P35968 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 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
SCHEMBL29951898 0.82 PTGDR2 (0.52) ERN1MAPTALDH1A1CCR5CA9
SCHEMBL2560249 0.80 KDM4E (0.39) ERN1MAPTALDH1A1CCR5MEN1
SCHEMBL2555993 0.80 MGMT (0.44) ERN1MAPTALDH1A1CCR5CA9
SCHEMBL29957022 0.79 ALDH1A1 (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2556665 0.78 RAB9A (0.45) ERN1MAPTALDH1A1CCR5LMNA
SCHEMBL29227222 0.78 CCR5 (0.57) ERN1MAPTALDH1A1CCR5LMNA
SCHEMBL7819820 0.77 MAPT (0.56) ERN1MAPTALDH1A1CCR5LMNA
SCHEMBL29951423 0.77 ALDH1A1 (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9824820 0.75 MAPT (0.52) ERN1MAPTALDH1A1CCR5CA9
SCHEMBL6926436 0.75 MAPT (0.62) ERN1MAPTALDH1A1CCR5LMNA

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