SCHEMBL30385296

SCHEMBL30385296

CN(Cc1cncc(-c2cc3ccccc3n2C)c1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.45
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CYP11B2 P19099 6/20 0.42
APP P05067 4/20 0.42
IDO1 P14902 1/20 0.38
MCHR1 Q99705 1/20 0.38
ADRA2A P08913 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL1606956 1.00 USP2 (0.47) USP2SMN1; SMN2KMT2ACHRNB1CHRNB2
SCHEMBL1606105 0.86 CYP11B2 (0.47) USP2SMN1; SMN2CHRNB1CHRNB2CHRNB4
SCHEMBL1606194 0.84 KMT2A (0.45) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606086 0.81 CYP11B2 (0.55) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606399 0.80 NR1H2 (0.40) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605878 0.79 KMT2A (0.55) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL14603921 0.78 KMT2A (0.46) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606591 0.78 KMT2A (0.54) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605531 0.77 CYP11B2 (0.69) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL6125512 0.76 KMT2A (0.44) KMT2ACHRNB1CHRNB2CHRNB4CHRNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166204-B Cyclic peptides as inhibitors of proprotein convertase subtilisin/kexin type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-28 CN disclosed
CN-113166114-B Cyclic tetramer compounds as inhibitors of proprotein convertase subtilisin/KEXIN type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-03 CN disclosed
WO-2023084449-A1 DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-05-19 WO disclosed