SCHEMBL17870732

SCHEMBL17870732

O=C(O)Cn1c(=O)[nH]cc(Br)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
APEX1 P27695 1/20 0.42
SLC9A1 P19634 1/20 0.41
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL2153695 0.79 SLC9A1 (0.63) FPR1FPR2APEX1SLC9A1GRIN2D
SCHEMBL136441 0.75 SLC9A1 (0.41) APEX1SLC9A1GRIN2DGRIN3BGRIA1
SCHEMBL3518684 0.75 GRIK1 (0.46) APEX1SLC9A1GRIN2DGRIN3BGRIA1
SCHEMBL19873889 0.73 ALDH1A1 (0.37) FPR1FPR2SLC9A1ALDH1A1
SCHEMBL25183490 0.72 ALDH1A1 (0.41) APEX1SLC9A1GRIN2DGRIN3BGRIA1
SCHEMBL26948742 0.71 ADORA2B (0.45) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL11248969 0.69 L3MBTL1 (0.54) FPR1FPR2APEX1GLAMEN1
SCHEMBL17870698 0.69 PDE4A (0.40) KDM4EALDH1A1
SCHEMBL7615724 0.68 TSHR (0.35) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7811734 0.67 KMT2A (0.48) MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO disclosed