SCHEMBL28533430

SCHEMBL28533430

[c]1ccc(C2CCCC3CCCCC32)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6574591 0.81 MEN1 (0.41) MEN1KMT2A
SCHEMBL13735039 0.80 MEN1 (0.47) MEN1KMT2A
SCHEMBL395631 0.80 MEN1 (0.47) MEN1KMT2A
SCHEMBL27855900 0.77 HTT (0.41) KMT2A
SCHEMBL27440249 0.77 ESR2 (0.46)
SCHEMBL27501867 0.77 GRIA4 (0.43) KMT2A
SCHEMBL10751693 0.76 MEN1 (0.47) MEN1KMT2A
SCHEMBL10736010 0.76 MEN1 (0.47) MEN1KMT2A
SCHEMBL10751690 0.76 MEN1 (0.47) MEN1KMT2A
SCHEMBL418730 0.76 MEN1 (0.47) MEN1KMT2A

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-112538084-A Novel KRAS G12C protein inhibitor and preparation method and application thereof 信达生物制药(苏州)有限公司 2021-03-23 CN disclosed