SCHEMBL30552452

SCHEMBL30552452

CC(C)(C)OC(=O)N1CCc2[nH]c3nnc(Cl)cc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR2 Q92731 1/20 0.44
BAZ2B Q9UIF8 8/20 0.42
NR1H2 P55055 1/20 0.41
F12 P00748 3/20 0.40
CGAS Q8N884 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL27053264 1.00 LMNA (0.44) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL31424848 0.92 ESR2 (0.40) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL23580642 0.87 ESR2 (0.42) ESR2NR1H2F12HDAC1HDAC6
SCHEMBL23580395 0.87 ESR2 (0.42) ESR2NR1H2F12HDAC1HDAC6
SCHEMBL404753 0.84 BAZ2B (0.48) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL27053267 0.81 SMARCA2 (0.52) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL22412978 0.80 LMNA (0.46) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL21114757 0.77 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL18103922 0.77 BAZ2B (0.43) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL30682952 0.76 DDB1 (0.44) ESR2BAZ2BNR1H2F12HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116744929-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 CN disclosed