SCHEMBL22136143

SCHEMBL22136143

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.53
MAP3K7 O43318 1/20 0.48
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TBK1 Q9UHD2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL22136233 0.85 STING1 (0.68) STING1
SCHEMBL19437691 0.81 STING1 (0.80) STING1TBK1
SCHEMBL19437507 0.81 TLR8 (0.45) STING1MAP3K7POLBKDM4EKMT2A
SCHEMBL22119605 0.80 STING1 (0.69) STING1TBK1
SCHEMBL22118178 0.80 STING1 (0.66) STING1MAP3K7POLBKDM4EMEN1
SCHEMBL22119042 0.79 STING1 (0.68) STING1TBK1
SCHEMBL22135905 0.78 STING1 (0.54) STING1MAP3K7HSD17B10
SCHEMBL22135073 0.78 STING1 (0.72) STING1TBK1
SCHEMBL22135940 0.78 STING1 (0.47) STING1MAP3K7POLBKDM4EMEN1
SCHEMBL22118999 0.77 STING1 (0.68) STING1TBK1

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