SCHEMBL31438780

SCHEMBL31438780

COc1ccc2c(c1)C(=O)N(C)CC2

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ DRD2 P14416 4/20 0.54
▸ DRD1 P21728 1/20 0.53
▸ DRD5 P21918 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ DRD4 P21917 1/20 0.52

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
SCHEMBL1036238 1.00 MEN1 (0.62) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL2062473 0.91 MEN1 (0.51) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL2204112 0.87 MEN1 (0.62) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL31438761 0.83 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL7934255 0.83 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL22129342 0.83 DRD2 (0.67) DRD2
SCHEMBL24892629 0.80 DRD2 (0.58) DRD2DRD1DRD3DRD4
SCHEMBL4316519 0.80 DRD2 (0.49) MEN1KMT2ADRD2DRD1DRD5
SCHEMBL4328789 0.80 DRD2 (0.60) DRD2
SCHEMBL1038441 0.80 DRD2 (0.64) DRD2

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-119490507-A Novel kinase inhibitor 首药控股(北京)股份有限公司 2025-02-21 — — CN disclosed
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