SCHEMBL21158745

SCHEMBL21158745

CCCn1c(NC(=O)c2sc(CO)nc2CC)nc2cc(C(N)=O)cc(OC3COC3)c21

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.66
MAP3K7 O43318 1/20 0.38

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
SCHEMBL21158739 0.93 STING1 (0.65) STING1MAP3K7
SCHEMBL21158989 0.92 STING1 (0.69) STING1
SCHEMBL21158746 0.90 STING1 (0.65) STING1
SCHEMBL21158741 0.84 STING1 (0.59) STING1
SCHEMBL21158930 0.84 STING1 (0.71) STING1
SCHEMBL21158657 0.80 STING1 (0.62) STING1
SCHEMBL21158644 0.79 STING1 (1.00) STING1
SCHEMBL21158748 0.76 STING1 (0.61) STING1
SCHEMBL21158735 0.76 STING1 (0.60) STING1
SCHEMBL22136292 0.73 STING1 (0.61) STING1

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-2019134707-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed