SCHEMBL22136287

SCHEMBL22136287

CCCn1c(NC(=O)c2oc(C)nc2C)nc2cc(C(N)=O)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 14/20 0.65
MAP3K7 O43318 1/20 0.59
TBK1 Q9UHD2 1/20 0.57
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
USP2 O75604 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
CYP3A4 P08684 1/20 0.49

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
SCHEMBL22135909 0.91 STING1 (0.61) STING1MAP3K7TBK1KDM4EKMT2A
SCHEMBL22135915 0.90 STING1 (0.62) STING1MAP3K7TBK1KDM4EKMT2A
SCHEMBL22151647 0.89 STING1 (0.62) STING1TBK1CYP3A4CYP2D6CYP2C9
SCHEMBL22136144 0.86 STING1 (0.62) STING1MAP3K7TBK1KDM4EKMT2A
SCHEMBL22135921 0.84 STING1 (0.62) STING1MAP3K7TBK1KDM4EKMT2A
SCHEMBL22136150 0.83 STING1 (0.64) STING1MAP3K7TBK1KDM4EKMT2A
SCHEMBL22136276 0.83 STING1 (0.51) STING1MAP3K7
SCHEMBL22118178 0.82 STING1 (0.66) STING1MAP3K7TBK1KDM4EKMT2A
SCHEMBL28751732 0.82 STING1 (0.52) STING1TBK1KMT2ACYP3A4CYP2D6
SCHEMBL29684274 0.82 STING1 (0.52) STING1TBK1KMT2ACYP3A4CYP2D6

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