SCHEMBL4591027

SCHEMBL4591027

O=C1C2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
ATM Q13315 1/20 0.61
TSHR P16473 3/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3190554 1.00 L3MBTL1 (0.66) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3190562 1.00 L3MBTL1 (0.66) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3204310 0.86 KMT2A (0.64) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3204323 0.86 KMT2A (0.64) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3196821 0.82 L3MBTL1 (0.70) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3192332 0.82 L3MBTL1 (0.70) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3198077 0.82 ALDH1A1 (0.58) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3192339 0.82 L3MBTL1 (0.70) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3188970 0.82 KMT2A (0.56) L3MBTL1ATMTSHRKMT2AMEN1
SCHEMBL3198063 0.82 ALDH1A1 (0.58) L3MBTL1ATMTSHRKMT2AMEN1

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