SCHEMBL27744823

SCHEMBL27744823

CCCCN(NCCN)c1ccc2c3c(cccc13)C(=O)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ POLB P06746 4/20 0.42
▸ USP2 O75604 3/20 0.42
▸ RGS12 O14924 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ PARP1 P09874 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ BRCA1 P38398 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL9301633 0.80 POLB (0.48) MEN1KMT2APOLBUSP2RGS12
SCHEMBL28967826 0.77 MEN1 (0.46) MEN1KMT2APOLBUSP2RGS12
SCHEMBL30831694 0.69 MEN1 (0.69) MEN1KMT2APOLBUSP2RGS12
SCHEMBL3501337 0.69 MEN1 (0.69) MEN1KMT2APOLBUSP2RGS12
Butane SCHEMBL11876142 0.69 MEN1 (0.65) MEN1KMT2APOLBUSP2RGS12
SCHEMBL17629705 0.69 MEN1 (0.53) MEN1KMT2APOLBUSP2RGS12
SCHEMBL28495677 0.68 MEN1 (0.60) MEN1KMT2APOLBUSP2RGS12
Propylamine SCHEMBL11711447 0.67 PRMT1 (0.57) MEN1KMT2APOLBUSP2RGS12
SCHEMBL5517131 0.67 MEN1 (0.51) MEN1KMT2APOLBUSP2RGS12
SCHEMBL28552747 0.67 MEN1 (0.55) MEN1KMT2APOLBUSP2RGS12

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-101318954-B Cyanuric chloride derivant, preparation method and application thereof UNIV SUZHOU 2011-04-20 — — CN disclosed
CN-101318954-A Cyanuric chloride derivant, preparation method and application thereof UNIV SOOCHOW (CN) 2008-12-10 — — CN disclosed
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