SCHEMBL6879320

SCHEMBL6879320

CCOC(=O)c1nc(CN2CCN(S(C)(=O)=O)CC2)[nH]c(=O)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
PRMT5 O14744 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AMY1A P0DUB6 1/20 0.39
PTPN1 P18031 1/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38

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
SCHEMBL6094824 0.77 DCTPP1 (0.41) GAANPSR1KDM4EALOX15HTT
SCHEMBL3423030 0.77 ALDH1A1 (0.46) NPSR1KDM4ELMNAPOLBALDH1A1
SCHEMBL5645117 0.75 ALDH1A1 (0.45) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL4038085 0.74 RNASEH1 (0.41) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL31394287 0.74 RNASEH1 (0.41) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL62834 0.74 LMNA (0.52) GAAKDM4ELMNAPOLBALDH1A1
Iodide SCHEMBL31394304 0.73 RNASEH1 (0.41) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL52184 0.71 MGLL (0.41) GAAKDM4EL3MBTL1PRMT5POLB
SCHEMBL6093718 0.70 KDM4E (0.42) NPSR1KDM4EHTTL3MBTL1LMNA
SCHEMBL5533743 0.69 RNASEH1 (0.37) GAAKDM4ELMNAALDH1A1MEN1

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
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO disclosed