SCHEMBL21900257

SCHEMBL21900257

CC(C(=O)O)n1c(=O)c(Br)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ USP5 P45974 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ PABPC1 P11940 1/20 0.34
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRNP P04156 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL28638741 0.87 GAA (0.42) GAALMNAMAPTKDM4EPABPC1
SCHEMBL19873831 0.78 GAA (0.43) GAAMAPTPABPC1ALDH1A1MAPK1
SCHEMBL21900242 0.74 GNRHR (0.37) MAPT
SCHEMBL17870725 0.74 GAA (0.47) GAAKDM4EKMT2A
SCHEMBL28645672 0.72 USP5 (0.33) USP5
SCHEMBL28643677 0.72 USP5 (0.33) USP5
SCHEMBL28643680 0.72 USP5 (0.33) USP5
SCHEMBL28645673 0.72 USP5 (0.33) USP5
SCHEMBL21900227 0.72 MAPT (0.46) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL19873897 0.72 GAA (0.42) GAALMNAMAPTPABPC1MMP8

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-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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