SCHEMBL4592017

SCHEMBL4592017

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GRM4 Q14833 1/20 0.49
GRM1 Q13255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
ESR2 Q92731 1/20 0.46
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL3200843 1.00 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2
SCHEMBL3200834 1.00 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2
SCHEMBL3191151 0.91 POLB (0.54) MEN1KMT2AGRM4GRM1ALDH1A1
SCHEMBL3191165 0.91 POLB (0.54) MEN1KMT2AGRM4GRM1ALDH1A1
SCHEMBL3179075 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL3179085 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL3181142 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL3181148 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL5922774 0.82 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2
SCHEMBL3187616 0.82 MEN1 (0.52) MEN1KMT2AGRM4GRM1SMN1; SMN2

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