SCHEMBL4592096

SCHEMBL4592096

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
ATM Q13315 1/20 0.57
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL3189228 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLBATMKMT2A
SCHEMBL3189239 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1POLBATMKMT2A
SCHEMBL3178547 0.90 TSHR (0.63) L3MBTL1ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL3178534 0.90 TSHR (0.63) L3MBTL1ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL3188970 0.86 KMT2A (0.56) L3MBTL1ALDH1A1POLBATMKMT2A
SCHEMBL3178993 0.86 L3MBTL1 (0.66) L3MBTL1ALDH1A1POLBATMKMT2A
SCHEMBL3178986 0.86 L3MBTL1 (0.66) L3MBTL1ALDH1A1POLBATMKMT2A
SCHEMBL3194695 0.84 AR (0.57) L3MBTL1ALDH1A1POLBATMKMT2A
SCHEMBL3194687 0.84 AR (0.57) L3MBTL1ALDH1A1POLBATMKMT2A
SCHEMBL3196357 0.83 L3MBTL1 (0.51) L3MBTL1ALDH1A1POLBATMKMT2A

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