SCHEMBL22136234

SCHEMBL22136234

CCCn1c(NC(=O)[C@@H]2CCOC2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 5/20 0.55
MAP3K7 O43318 1/20 0.52
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TBK1 Q9UHD2 1/20 0.49
TSHR P16473 4/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
JAK2 O60674 4/20 0.48
JAK1 P23458 4/20 0.48
TYK2 P29597 4/20 0.48
JAK3 P52333 4/20 0.48
KMT2A Q03164 3/20 0.46
ITK Q08881 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL22135972 1.00 STING1 (0.55) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22136279 0.95 STING1 (0.53) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22135919 0.95 STING1 (0.53) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22135907 0.93 STING1 (0.58) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22135975 0.90 STING1 (0.61) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22118178 0.80 STING1 (0.66) STING1MAP3K7ALDH1A1HPGDTBK1
SCHEMBL22136152 0.79 STING1 (0.65) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22136228 0.79 STING1 (0.55) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22136232 0.79 STING1 (0.55) STING1MAP3K7ALDH1A1HPGDLMNA
SCHEMBL22136149 0.78 STING1 (0.64) STING1MAP3K7ALDH1A1HPGDTBK1

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