SCHEMBL29172805

SCHEMBL29172805

O=C1c2ccccc2C(=O)N1Cl.[KH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.54
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ S100A4 P26447 2/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ EHMT2 Q96KQ7 1/20 0.43
▸ EHMT1 Q9H9B1 1/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ APAF1 O14727 2/20 0.42
▸ TDP2 O95551 2/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ DNMT3L Q9UJW3 1/20 0.42
▸ DNMT3A Q9Y6K1 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GLS O94925 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL135882 0.97 CES1 (0.56) CES1MEN1KMT2APOLBS100A4
SCHEMBL29402307 0.97 CES1 (0.56) CES1MEN1KMT2APOLBS100A4
SCHEMBL6135716 0.85 CES1 (0.47) CES1MEN1KMT2APOLBS100A4
Acetic Acid SCHEMBL7085107 0.84 LMNA (0.50) CES1MEN1KMT2APOLBCASP3
Acetonitrile SCHEMBL29009230 0.84 CES1 (0.45) CES1MEN1KMT2APOLBS100A4
SCHEMBL8045796 0.80 CES1 (0.47) CES1MEN1KMT2APOLBS100A4
SCHEMBL10724958 0.80 CES1 (0.47) CES1MEN1KMT2APOLBS100A4
SCHEMBL2022462 0.77 POLB (0.64) CES1MEN1KMT2APOLBS100A4
SCHEMBL28160078 0.77 POLB (0.64) CES1MEN1KMT2APOLBS100A4
SCHEMBL8407065 0.75 ERCC1 (0.63) CES1MEN1KMT2ACYP1A2KDM4E

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-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 — — CN disclosed
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