SCHEMBL2561641

SCHEMBL2561641

O=C/C=C/c1cc(Br)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.66
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
XDH P47989 2/20 0.48
MAPT P10636 2/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 2/20 0.45
AR P10275 1/20 0.44
ALOX15 P16050 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2561644 1.00 ERN1 (0.66) ERN1CA12CA9CDK4CCND1
SCHEMBL28988646 0.85 CDK4 (0.55) ERN1CA12CA9CDK4CCND1
SCHEMBL11343002 0.83 ERN1 (0.68) ERN1CA12CA9MAPTHSP90AA1
SCHEMBL11343000 0.83 ERN1 (0.68) ERN1CA12CA9MAPTHSP90AA1
SCHEMBL3437049 0.80 ALDH1A1 (0.59) CDK4CCND1XDHMAPTKMT2A
SCHEMBL3437050 0.80 ALDH1A1 (0.59) CDK4CCND1XDHMAPTKMT2A
5-Bromosalicylaldehyde SCHEMBL29399181 0.79 ERN1 (1.00) ERN1CA12CA9MAPTKMT2A
5-Bromosalicylaldehyde SCHEMBL79219 0.79 ERN1 (1.00) ERN1CA12CA9MAPTKMT2A
5-Bromosalicylaldehyde SCHEMBL28337235 0.78 ERN1 (0.96) ERN1CA12CA9MAPTKMT2A
SCHEMBL31238165 0.77 ERN1 (0.60) ERN1CA12CA9MAPTHSP90AA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092769-B Chromene derivative and synthesis method and application thereof 华东师范大学 2022-09-20 CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-110092769-B Chromene derivative and synthesis method and application thereof 华东师范大学 2022-09-20 CN 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
WO-2013066134-A2 NOVEL CINNAMYL-RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENTS 한국생명공학연구원 (KR) 2013-05-10 WO 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