SCHEMBL4591250

SCHEMBL4591250

Cc1cc(N2C(=O)C3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
CYP3A4 P08684 1/20 0.76
CYP2C19 P33261 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
L3MBTL1 Q9Y468 3/20 0.66
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
USP2 O75604 1/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 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
SCHEMBL3198062 1.00 TSHR (1.00) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3198070 1.00 TSHR (1.00) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3190734 0.91 TSHR (0.84) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3190726 0.91 TSHR (0.84) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3178771 0.86 TSHR (1.00) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3191561 0.86 TSHR (1.00) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3199143 0.83 TSHR (0.71) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3199137 0.83 TSHR (0.71) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3191324 0.82 TSHR (0.70) TSHRCYP3A4CYP2C19NPSR1L3MBTL1
SCHEMBL3198561 0.82 TSHR (0.76) TSHRCYP3A4CYP2C19NPSR1L3MBTL1

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