SCHEMBL22119014

SCHEMBL22119014

COC(=O)c1cccc2c1nc(N)n2CCCNC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
STING1 Q86WV6 6/20 0.43
BRD4 O60885 2/20 0.43
IRF3 Q14653 1/20 0.42
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 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
SCHEMBL22119002 0.85 HTT (0.47) HTTSTING1BRD4KEAP1NFE2L2
SCHEMBL1201709 0.79 ALDH1A1 (0.47) HTTSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL22118998 0.79 STING1 (0.53) STING1IRF3
SCHEMBL22118965 0.78 TLR8 (0.41) HTTSTING1BRD4KEAP1NFE2L2
SCHEMBL4881757 0.77 STING1 (0.44) STING1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL22119105 0.76 STING1 (0.53) HTTSTING1
SCHEMBL29784473 0.76 MAPT (0.42) STING1MAPTKDM4EALDH1A1GAA
SCHEMBL22118988 0.75 STING1 (0.66) STING1IRF3
SCHEMBL8505526 0.74 HTT (0.52) HTTKEAP1NFE2L2LMNASMN1; SMN2
SCHEMBL22118961 0.74 STING1 (0.45) HTTSTING1BRD4KEAP1NFE2L2

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