SCHEMBL17870725

SCHEMBL17870725

O=C(O)Cn1c(=O)c(Br)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ APEX1 P27695 1/20 0.44
▸ SLC6A9 P48067 3/20 0.39
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ CDK9 P50750 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PTGDR Q13258 1/20 0.35

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
SCHEMBL21900227 0.86 MAPT (0.46) GAAAPEX1KDM4E
SCHEMBL19873870 0.84 GAA (0.43) GAAKDM4E
SCHEMBL19873831 0.82 GAA (0.43) GAAKMT2A
SCHEMBL19873897 0.81 GAA (0.42) GAAKMT2A
SCHEMBL19873713 0.81 GAA (0.47) GAA
SCHEMBL21900257 0.74 GAA (0.46) GAAKMT2AKDM4E
SCHEMBL5011462 0.72 KMT2A (0.42) APEX1SLC6A9GLAKMT2AMEN1
SCHEMBL12410793 0.64 KMT2A (0.42) GAAKMT2AKDM4E
SCHEMBL1558809 0.64 KMT2A (0.42) GAAKMT2AKDM4E
SCHEMBL12501011 0.64 GAA (1.00) GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 — — EP disclosed
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
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