SCHEMBL2555993

SCHEMBL2555993

O=Cc1cc([N+](=O)[O-])ccc1OCc1cc(Br)cs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGMT P16455 5/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
ERN1 O75460 1/20 0.43
CCR5 P51681 4/20 0.42
ALDH1A1 P00352 3/20 0.41
CA9 Q16790 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CYP19A1 P11511 2/20 0.38
POLB P06746 1/20 0.38
BLM P54132 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
SCHEMBL15332130 0.83 PTGDR2 (0.55) MAPTLMNAERN1CCR5ALDH1A1
SCHEMBL29227222 0.81 CCR5 (0.57) MAPTMEN1KMT2ALMNAERN1
SCHEMBL2561409 0.80 PTGDR2 (0.42) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL2556243 0.80 ERN1 (0.42) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL9824820 0.79 MAPT (0.52) MAPTMEN1KMT2ALMNAERN1
SCHEMBL2556416 0.78 ALDH1A1 (0.51) MGMTMAPTMEN1KMT2AKDM4E
SCHEMBL2560017 0.78 ALDH1A1 (0.53) MAPTKMT2AKDM4ELMNAALDH1A1
SCHEMBL7819820 0.78 MAPT (0.56) MAPTMEN1KMT2ALMNAERN1
SCHEMBL2560057 0.78 RAB9A (0.46) MAPTKDM4ELMNAERN1CCR5
SCHEMBL10172977 0.76 CCR5 (0.67) MAPTMEN1KMT2ALMNACCR5

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