SCHEMBL29809124

SCHEMBL29809124

Oc1ccccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALOX12 P18054 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RARB P10826 5/20 0.44
RARA P10276 3/20 0.44
RARG P13631 3/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL345587 1.00 MEN1 (0.48) MEN1KMT2APOLBGAAGFER
SCHEMBL12804771 0.91 KDM4E (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL237723 0.88 GRIN2D (0.43) MEN1KMT2APOLBGAAGFER
SCHEMBL549642 0.84 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL3759976 0.84 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL3049402 0.83 ALOX5AP (0.37) MEN1KMT2APOLBGAAGFER
SCHEMBL27418461 0.81 MEN1 (0.43) MEN1KMT2APOLBGAAGFER
SCHEMBL13004755 0.81 MEN1 (0.43) MEN1KMT2APOLBGAAGFER
SCHEMBL548737 0.81 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL3752942 0.78 MEN1 (0.52) MEN1KMT2APOLBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805332-B Bismaleimide containing oxazine side group and Cardo structure and preparation method thereof 大连理工大学 2024-08-13 CN disclosed
CN-114805332-A Bismaleimide containing oxazine side group and Cardo structure and preparation method thereof 大连理工大学 2022-07-29 CN disclosed