SCHEMBL16085320

SCHEMBL16085320

CC(C)N1C(=O)c2cccc3c(N)ccc(c23)C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 9/20 0.69
▸ KMT2A Q03164 9/20 0.69
▸ MEN1 O00255 8/20 0.69
▸ KEAP1 Q14145 7/20 0.69
▸ NFE2L2 Q16236 7/20 0.69
▸ ATM Q13315 2/20 0.69
▸ TLR9 Q9NR96 1/20 0.63
▸ CYP1B1 Q16678 2/20 0.63
▸ MAPT P10636 6/20 0.59
▸ HTT P42858 3/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ RECQL P46063 4/20 0.54
▸ RGS12 O14924 3/20 0.54
▸ THRB P10828 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL9703132 0.88 MAPT (0.61) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL9006270 0.81 KMT2A (1.00) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL24784337 0.78 KMT2A (0.70) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL7712164 0.78 KMT2A (0.70) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL7646448 0.78 ANPEP (0.60) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL9437182 0.77 USP2 (1.00) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL12381797 0.76 NPC1 (0.42) USP2KMT2AMEN1HTTKDM4E
SCHEMBL31259865 0.76 DPP4 (0.51) USP2KMT2AMEN1ATMMAPT
SCHEMBL5326245 0.76 DPP4 (0.51) USP2KMT2AMEN1ATMMAPT
SCHEMBL10299247 0.75 KDM4E (0.57) KMT2AMEN1CYP1B1HTTKDM4E

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
US-20140273274-A1 METHODS FOR THE SELECTIVE DETECTION OF ALKYNE-PRESENTING MOLECULES AND RELATED COMPOSITIONS AND SYSTEMS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2014-09-18 — — US disclosed
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