SCHEMBL28940975

SCHEMBL28940975

CNC(=O)c1ncc(OC(N)=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLK1 P53350 3/20 0.35
HPGDS O60760 1/20 0.34
PLAU P00749 1/20 0.33
P2RX7 Q99572 1/20 0.33
PARP1 P09874 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
RAF1 P04049 2/20 0.32
BAZ2B Q9UIF8 1/20 0.32
MMP13 P45452 1/20 0.32
NNMT P40261 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL28816899 0.79 KMT2A (0.43) MEN1KMT2ATSHRSMN1; SMN2HPGDS
SCHEMBL28284688 0.78 CCNC (0.43) MEN1KMT2AHPGDTSHRHTT
SCHEMBL28940971 0.77 MMP13 (0.37) MEN1KMT2AHPGDHTTSMN1; SMN2
SCHEMBL28941110 0.77 CFTR (0.38) HPGDTSHR
SCHEMBL28940917 0.77 CFTR (0.38) HPGDTSHR
SCHEMBL28940978 0.77 SCN9A (0.39)
SCHEMBL28941018 0.75 MEN1 (0.37) MEN1KMT2AHPGDSMN1; SMN2PARP1
SCHEMBL459076 0.75 KMT2A (0.43) MEN1KMT2AHPGDSMN1; SMN2NNMT
SCHEMBL24655828 0.75 P2RX7 (0.39) PLK1P2RX7PARP1BAZ2BMAP4K1
SCHEMBL29224909 0.75 RAF1 (0.46) HPGDTSHRHTTSMN1; SMN2PLK1

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-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed