SCHEMBL2553460

SCHEMBL2553460

N#Cc1ccc(COc2ccc(B(O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.63
MAOB P27338 8/20 0.62
RAB9A P51151 1/20 0.56
HRH3 Q9Y5N1 1/20 0.49
SMPD1 P17405 1/20 0.48
TDP2 O95551 1/20 0.47
MAOA P21397 4/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.45
AR P10275 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL12420267 0.88 APP (0.54) ENPP2
SCHEMBL18664184 0.86 MAOB (0.81) MAOBRAB9AHRH3SMPD1MAOA
SCHEMBL29741480 0.86 MAOB (0.81) MAOBRAB9AHRH3SMPD1MAOA
SCHEMBL2562445 0.83 SMPD1 (0.59) ENPP2MAOBRAB9ASMPD1MAOA
SCHEMBL2555779 0.81 FFAR1 (0.60) ENPP2MAOBMAOACYP4F2CYP4A11
SCHEMBL16687441 0.81 APP (0.47) ENPP2
SCHEMBL16841039 0.80 MAOB (0.72) MAOBRAB9AHRH3SMPD1MAOA
SCHEMBL2230653 0.80 ENPP2 (0.76) ENPP2MAOBRAB9ACYP19A1
SCHEMBL6016 0.80 ENPP2 (1.00) ENPP2
SCHEMBL2557358 0.79 ENPP2 (0.68) ENPP2MAOBRAB9A

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 8 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
CN-115124534-A Non-nucleotide PRMT5 small molecule inhibitor, preparation method and application 中山大学 2022-09-30 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
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