SCHEMBL21900227

SCHEMBL21900227

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FABP3 P05413 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ CMA1 P23946 6/20 0.38
▸ CTSG P08311 1/20 0.37

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
SCHEMBL19873870 0.92 GAA (0.43) MAPTGAAFABP4FABP5KDM4E
SCHEMBL28639201 0.87 GAA (0.40) GAAHTTKDM4EALDH1A1
SCHEMBL17870725 0.86 GAA (0.47) GAAKDM4EAPEX1
SCHEMBL19873713 0.84 GAA (0.47) GAAALDH1A1
SCHEMBL19873831 0.80 GAA (0.43) MAPTGAAALDH1A1
SCHEMBL19873897 0.79 GAA (0.42) MAPTGAAALDH1A1
SCHEMBL28652312 0.79 KDM4E (0.48) MAPTGAAKDM4EALDH1A1
SCHEMBL17870751 0.75 GNRHR (0.44) MAPT
SCHEMBL30178407 0.75 GNRHR (0.44) MAPT
SCHEMBL21900257 0.72 GAA (0.46) MAPTGAAKDM4EALDH1A1HPGD

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 3 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
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