SCHEMBL5583501

SCHEMBL5583501

CC(NC(=O)O)C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
FPR2 P25090 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3133136 0.85 TP53 (0.50) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7718349 0.85 TP53 (0.50) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7721723 0.85 TP53 (0.50) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1198598 0.85 TP53 (0.59) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5549311 0.79 TP53 (0.44) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL19585953 0.78 ALDH1A1 (0.54) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL19586826 0.78 ALDH1A1 (0.54) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL5545154 0.78 TP53 (0.53) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL23397555 0.77 KMT2A (0.48) TP53MEN1KMT2AMAPTLMNA
SCHEMBL29042815 0.77 TP53 (0.53) TP53MEN1KMT2AALDH1A1L3MBTL1

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-1761508-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-14 EP disclosed
WO-2006004945-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-12 WO disclosed