SCHEMBL29625378

SCHEMBL29625378

N#Cc1cncc(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
RAF1 P04049 1/20 0.36
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GSK3B P49841 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL1161457 1.00 CYP11B1 (0.38) CYP11B1CYP11B2HTTHRH3RAF1
SCHEMBL2560682 0.83 ADORA2A (0.43) CYP11B1CYP11B2HTTHRH3RAF1
SCHEMBL31446925 0.79 CYP11B2 (0.47) CYP11B1CYP11B2HTTHRH3RAF1
SCHEMBL1413419 0.79 GRIN2B (0.40) CYP11B1CYP11B2HRH3RAF1GRIN1
SCHEMBL30044994 0.79 CYP11B1 (0.47) CYP11B1CYP11B2HRH3RAF1GRIN1
SCHEMBL19911768 0.79 CYP11B2 (0.47) CYP11B1CYP11B2HTTHRH3RAF1
SCHEMBL1413347 0.79 LOXL2 (0.48) CYP11B1CYP11B2HTTHRH3RAF1
SCHEMBL7673123 0.79 CYP11B1 (0.38) CYP11B1CYP11B2HTTHRH3RAF1
SCHEMBL1413439 0.79 CYP11B1 (0.47) CYP11B1CYP11B2HRH3RAF1GRIN1
SCHEMBL29391958 0.79 GRIN2B (0.40) CYP11B1CYP11B2HRH3RAF1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444423-A1 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF Helmholtz-Zentrum Dresden - Rossendorf e.V. (DE) 2024-10-16 EP disclosed
CN-118715214-A 3- ((3- ([ 1,1' -Biphenyl ] -3-ylmethoxy) -phenoxy) methyl) benzonitrile derivative and application thereof 赫姆霍兹-森德拉姆德雷斯顿-罗森多夫研究中心 2024-09-27 CN disclosed
CN-117964559-A 8-Phenylquinazoline compound and application thereof 华侨大学 2024-05-03 CN disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
EP-4352060-A1 TRICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2024-04-17 EP disclosed
WO-2023104744-A1 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2023-06-15 WO disclosed
CN-115611889-A PD-L1 inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2023-01-17 CN disclosed
WO-2022261159-A1 TRICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2022-12-15 WO disclosed
CN-109803651-B Immunomodulatory compounds 凯莫森特里克斯股份有限公司 2022-05-31 CN disclosed