SCHEMBL8557022

SCHEMBL8557022

CCc1ccc(C2C(=O)NC(C)(C(C)C)C2=O)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL29923559 0.61 SKP2 (0.42) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL1063295 0.61 SKP2 (0.42) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL6542533 0.60 ALDH1A1 (0.36) PARP1NPC1ALDH1A1LMNAMAPT
SCHEMBL8205123 0.59 LMNA (0.37) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18898645 0.59 MAOB (0.51) PARP1NPC1ALDH1A1LMNAMAPT
SCHEMBL12658938 0.59 TRPA1 (0.43) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL14404557 0.58 CYP1A2 (0.42) NPC1ALDH1A1LMNAMAPTMAPK1
Benzene SCHEMBL27906207 0.58 CYP1A2 (0.42) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL4798301 0.58 TRPA1 (0.46) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL3630698 0.58 DDB1 (0.42) DDB1CRBN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0668267-B1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1998-04-08 EP disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0668267-A1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1995-08-23 EP disclosed