SCHEMBL4591467

SCHEMBL4591467

O=C1C2C(C(=O)N1c1ccc(N3CCOCC3)c(Cl)c1)[C@H]1C=C[C@@H]2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
RAD51 Q06609 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAD1 O60671 1/20 0.46
BCL2A1 Q16548 1/20 0.46
ALDH3A1 P30838 1/20 0.46

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
SCHEMBL3198897 1.00 MEN1 (0.60) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3198907 1.00 MEN1 (0.60) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3192147 0.93 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3192164 0.93 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5923024 0.84 USP2 (0.58) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3199528 0.84 USP2 (0.58) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3188169 0.82 MAPT (0.49) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3188185 0.82 MAPT (0.49) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3189140 0.80 TSHR (0.63) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3189148 0.80 TSHR (0.63) MEN1KMT2ATSHRCYP3A4CYP2C19

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