SCHEMBL22118786

SCHEMBL22118786

COC(=O)c1cc(N)c(NCCCNC(=O)OCc2ccccc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ STING1 Q86WV6 3/20 0.46
▸ IRF3 Q14653 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ KEAP1 Q14145 2/20 0.43
▸ NFE2L2 Q16236 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MGLL Q99685 1/20 0.41

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
SCHEMBL22118783 0.85 ALDH1A1 (0.50) HTTSTING1IRF3BRD4L3MBTL1
SCHEMBL10686084 0.78 HPGD (0.52) L3MBTL1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL22118988 0.75 STING1 (0.66) STING1IRF3
SCHEMBL22120992 0.74 HTT (0.52) HTTKMT2ALMNASMN1; SMN2TGM2
SCHEMBL23971179 0.73 PTGER4 (0.49) HTTL3MBTL1MEN1KMT2ALMNA
SCHEMBL16915012 0.73 HTT (0.51) HTTBRD4L3MBTL1MEN1KMT2A
SCHEMBL8100512 0.72 HTT (0.60) HTTL3MBTL1MEN1KMT2ALMNA
SCHEMBL2063856 0.72 HPGD (0.65) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL22135029 0.72 STING1 (0.44) STING1BRD4MEN1KMT2A
SCHEMBL19437440 0.72 MEN1 (0.43) HTTMEN1KMT2ASMN1; SMN2MAPT

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-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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