SCHEMBL2556044

SCHEMBL2556044

NC(=O)C1CCCN1c1cc(Br)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
ELANE P08246 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
ERN1 O75460 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MAT2A P31153 2/20 0.34
SCN9A Q15858 2/20 0.34
FPR2 P25090 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL15330912 0.81 AR (0.56) ARELANEPOLBKMT2AOPRM1
SCHEMBL2559290 0.78 AR (0.50) ARELANEKDM4EALDH1A1SCN9A
SCHEMBL2555259 0.77 AR (0.52) ARELANEPOLBKMT2AOPRM1
SCHEMBL2558897 0.74 NPC1 (0.43) ARELANEPIK3CA
SCHEMBL2561494 0.74 AR (0.46) ARELANEKDM4EALDH1A1POLB
SCHEMBL2563842 0.73 ALDH1A1 (0.53) ARALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL19386347 0.73 MAPT (0.48) ALDH1A1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL2559298 0.72 ALDH1A3 (0.55) ARELANEALDH1A1MAPTKMT2A
SCHEMBL2556134 0.72 ALDH1A1 (0.52) ARELANEALDH1A1MAPTKMT2A
SCHEMBL4471820 0.71 ALDH1A1 (0.47) KDM4EALDH1A1MAPTMAPK1KMT2A

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