SCHEMBL22136248

SCHEMBL22136248

CCCn1c(NC=O)nc2cc(C(N)=O)cc(CN3CCOCC3)c21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.49
▸ MAP3K7 O43318 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL22135905 0.88 STING1 (0.54) STING1MAP3K7CASP1CASP7HSD17B10
SCHEMBL19437516 0.84 STING1 (0.46) STING1KDM4EMAPT
SCHEMBL22135916 0.82 STING1 (0.54) STING1MAP3K7
SCHEMBL22119003 0.82 STING1 (0.56) STING1
SCHEMBL22135920 0.81 STING1 (0.55) STING1MAP3K7
SCHEMBL22135899 0.81 STING1 (0.53) STING1
SCHEMBL22136127 0.81 STING1 (0.53) STING1MAP3K7
SCHEMBL22135897 0.81 STING1 (0.55) STING1MAP3K7
SCHEMBL22135195 0.81 STING1 (0.71) STING1
SCHEMBL22136257 0.80 STING1 (0.56) STING1MAP3K7

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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