SCHEMBL17870748

SCHEMBL17870748

CSCCCn1c(=O)c(Br)cn(CC(=O)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.39
ADORA2B P29275 3/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PTGER4 P35408 1/20 0.30

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
SCHEMBL17870749 0.92 CDK9 (0.40) CDK9ADORA2BLMNAKDM4EALDH1A1
SCHEMBL28657237 0.86 CDK9 (0.39) CDK9KDM4EMAPT
SCHEMBL17870821 0.82 CDK9 (0.42) CDK9ADORA2BLMNAKDM4EALDH1A1
SCHEMBL19873980 0.81 ALDH1A1 (0.33) CDK9ADORA2BALDH1A1
SCHEMBL17870770 0.80 CDK9 (0.41) CDK9ADORA2BLMNAKDM4EALDH1A1
SCHEMBL21900263 0.79 CDK9 (0.44) CDK9ADORA2BLMNAKDM4EALDH1A1
SCHEMBL17870758 0.78 ALDH1A1 (0.41) CDK9ADORA2BLMNAKDM4EALDH1A1
SCHEMBL28639222 0.78 CDK9 (0.40) CDK9KDM4EALDH1A1POLBMAPT
SCHEMBL30178342 0.78 CDK9 (0.36) CDK9ADORA2BLMNAKDM4EALDH1A1
SCHEMBL17870781 0.77 CDK9 (0.39) CDK9ADORA2BLMNAKDM4EALDH1A1

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