SCHEMBL4591333

SCHEMBL4591333

O=C1C2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Br)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.41
HTR6 P50406 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AR P10275 2/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3188039 1.00 L3MBTL1 (0.52) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3188056 1.00 L3MBTL1 (0.52) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3196023 0.84 HTR6 (0.40) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3196033 0.84 HTR6 (0.40) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3196030 0.84 HTR6 (0.40) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3197022 0.84 MEN1 (0.39) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3197002 0.84 MEN1 (0.39) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3197014 0.84 MEN1 (0.39) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL3197570 0.82 MEN1 (0.52) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3186028 0.82 POLB (0.54) L3MBTL1KMT2AMEN1ALDH1A1

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-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 EP claimed
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 EP claimed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 WO claimed