SCHEMBL8308364

SCHEMBL8308364

CC(=O)Oc1ccc(CC(=O)CBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.49
GLS O94925 2/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
ELANE P08246 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL4539616 0.84 LMNA (0.52) LMNAGAAGLSMAPTPOLB
SCHEMBL2853333 0.81 HTT (0.59) LMNAMAPTPOLBPKMALDH1A1
SCHEMBL8037879 0.81 POLB (0.61) LMNAGAAGLSMAPTPOLB
SCHEMBL868628 0.81 LMNA (0.57) LMNAGAAGLSMAPTPOLB
SCHEMBL384743 0.79 GAA (0.57) LMNAGAAMAPTPOLBPKM
SCHEMBL10492444 0.79 NQO1 (0.50) LMNAMAPTPOLBALDH1A1KDM4E
SCHEMBL1849340 0.78 LMNA (0.53) LMNAGAAGLSMAPTPOLB
SCHEMBL10568442 0.78 LMNA (0.59) LMNAGAAMAPTPOLBPKM
SCHEMBL11489461 0.78 GAA (0.55) LMNAGAAMAPTPOLBPKM
SCHEMBL2350995 0.78 LMNA (0.53) LMNAGAAGLSMAPTPOLB

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-0937723-A1 Novel sulfonamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed
EP-0914318-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1999-05-12 EP disclosed
WO-1997043267-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1997-11-20 WO disclosed