SCHEMBL22136279

SCHEMBL22136279

CCCn1c(NC(=O)[C@@H]2CCCOC2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAP3K7 O43318 1/20 0.50
ITK Q08881 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TBK1 Q9UHD2 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 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
SCHEMBL22135919 1.00 STING1 (0.53) STING1ALDH1A1LMNAHPGDTDP1
SCHEMBL22135972 0.95 STING1 (0.55) STING1ALDH1A1LMNAHPGDTDP1
SCHEMBL22136234 0.95 STING1 (0.55) STING1ALDH1A1LMNAHPGDTDP1
SCHEMBL22135907 0.91 STING1 (0.58) STING1ALDH1A1LMNAHPGDTDP1
SCHEMBL22135975 0.88 STING1 (0.61) STING1ALDH1A1LMNAHPGDTDP1
SCHEMBL22118178 0.78 STING1 (0.66) STING1ALDH1A1HPGDMAP3K7SMN1; SMN2
SCHEMBL22136152 0.77 STING1 (0.65) STING1ALDH1A1LMNAHPGDMAP3K7
SCHEMBL22136228 0.77 STING1 (0.55) STING1ALDH1A1LMNAHPGDTDP1
SCHEMBL22136232 0.77 STING1 (0.55) STING1ALDH1A1LMNAHPGDTDP1
SCHEMBL22136149 0.76 STING1 (0.64) STING1ALDH1A1HPGDMAP3K7SMN1; SMN2

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