SCHEMBL22136149

SCHEMBL22136149

CCCn1c(NC(=O)OC)nc2cc(C(N)=O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.64
MAP3K7 O43318 1/20 0.61
TBK1 Q9UHD2 1/20 0.56
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
USP2 O75604 1/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.48

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
SCHEMBL22118178 0.88 STING1 (0.66) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22135906 0.88 STING1 (0.61) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22136152 0.87 STING1 (0.65) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22135904 0.84 STING1 (0.62) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22135975 0.83 STING1 (0.61) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22136148 0.83 STING1 (0.61) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22136232 0.82 STING1 (0.55) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22136228 0.82 STING1 (0.55) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22136297 0.82 STING1 (0.59) STING1MAP3K7TBK1KMT2AKDM4E
SCHEMBL22135907 0.81 STING1 (0.58) STING1MAP3K7TBK1KMT2AKDM4E

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