SCHEMBL31451499

SCHEMBL31451499

CC(C)(C)OC(=O)N1Cc2ccnn2CC1CO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SRC P12931 8/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ TACR1 P25103 6/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL17936828 0.84 MAP4K4 (0.39) MEN1KMT2ANR1H2NAMPTHSD11B1
SCHEMBL17926262 0.84 MAP4K4 (0.39) MEN1KMT2ANR1H2NAMPTHSD11B1
SCHEMBL17936822 0.84 MAP4K4 (0.39) MEN1KMT2ANR1H2NAMPTHSD11B1
SCHEMBL28883948 0.81 NR1H2 (0.39) MEN1KMT2ANR1H2NAMPTHSD11B1
SCHEMBL19781607 0.72 MEN1 (0.37) MEN1KMT2ANR1H2HSD11B1
SCHEMBL19781282 0.72 MEN1 (0.37) MEN1KMT2ANR1H2HSD11B1
SCHEMBL12307403 0.71 NR1H2 (0.52) MEN1KMT2ANR1H2
SCHEMBL2081318 0.70 MEN1 (0.53) MEN1KMT2ANAMPTHDAC8
SCHEMBL3929271 0.70 MEN1 (0.53) MEN1KMT2ANAMPTHDAC8
SCHEMBL31359949 0.70 MEN1 (0.53) MEN1KMT2ANAMPTHDAC8

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
WO-2025016899-A1 SPIROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-01-23 — — WO disclosed
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