SCHEMBL28639201

SCHEMBL28639201

COC(=O)CCn1c(=O)c(Br)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KAT2B Q92831 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ BUB1 O43683 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 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
SCHEMBL28652312 0.88 KDM4E (0.48) GAAKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL21900227 0.87 MAPT (0.46) GAAKDM4EALDH1A1HTT
SCHEMBL19873713 0.81 GAA (0.47) GAAALDH1A1
SCHEMBL17870725 0.79 GAA (0.47) GAAKDM4EMEN1KMT2A
SCHEMBL19873897 0.79 GAA (0.42) GAAALDH1A1KMT2APABPC1
SCHEMBL28638744 0.78 GNRHR (0.45) MEN1KMT2A
SCHEMBL19873831 0.77 GAA (0.43) GAAALDH1A1SMN1; SMN2KMT2APABPC1
SCHEMBL28638741 0.74 GAA (0.42) GAAKDM4EALDH1A1TP53MEN1
SCHEMBL21900257 0.70 GAA (0.46) GAAKDM4EALDH1A1CASP3KMT2A
SCHEMBL14115659 0.65 SMN1; SMN2 (0.47) GAAKDM4EALDH1A1SMN1; SMN2CASP3

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 2 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
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