SCHEMBL4591573

SCHEMBL4591573

Cc1ccc(N2C(=O)C3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1C#N

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.47

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
SCHEMBL3202462 1.00 L3MBTL1 (0.65) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3202454 1.00 L3MBTL1 (0.65) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3196357 0.84 L3MBTL1 (0.51) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3196361 0.84 L3MBTL1 (0.51) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3178691 0.83 TSHR (0.82) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3178679 0.83 TSHR (0.82) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3191311 0.83 L3MBTL1 (0.50) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3191710 0.81 KMT2A (0.44) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3192339 0.79 L3MBTL1 (0.70) L3MBTL1TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3192332 0.79 L3MBTL1 (0.70) L3MBTL1TSHRCYP3A4CYP2C19NPSR1

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