SCHEMBL17870816

SCHEMBL17870816

O=C(O)C(n1cc(Br)c(=O)n(CC[C@H]2CO2)c1=O)n1cc(Br)c(=O)n(CC[C@H]2CO2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.31

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
SCHEMBL28645675 0.88 TRPA1 (0.31) TYMP
SCHEMBL28645676 0.88 TRPA1 (0.31) TYMP
SCHEMBL17870761 0.78 CDK9 (0.39)
SCHEMBL17870756 0.72 ADORA2B (0.31)
SCHEMBL19873806 0.72 ALDH1A1 (0.33)
SCHEMBL28644025 0.72 CDK9 (0.38)
SCHEMBL28649422 0.65 USP5 (0.32)
SCHEMBL8579242 0.65 TP53 (0.58)
SCHEMBL28663372 0.62 ADORA2B (0.30)
SCHEMBL28645677 0.61 USP5 (0.31)

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-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