SCHEMBL25827513

SCHEMBL25827513

CCN/C(=C\C(C)=N)C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCc1ccc(OP(O)N=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.43
ENPP1 P22413 1/20 0.41

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
SCHEMBL22135039 0.79 STING1 (0.49) STING1
SCHEMBL22135328 0.76 STING1 (0.51) STING1
SCHEMBL24467518 0.75 STING1 (0.66) STING1
SCHEMBL22135337 0.72 STING1 (0.50) STING1
SCHEMBL19451577 0.72 STING1 (0.62) STING1
SCHEMBL25831503 0.71 STING1 (0.60) STING1ENPP1
SCHEMBL25826658 0.71 ENPP1 (0.41) STING1ENPP1
SCHEMBL21648190 0.70 STING1 (0.39) STING1
SCHEMBL24175617 0.70 PTGER4 (0.46) STING1
SCHEMBL22570027 0.70 STING1 (0.53) 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-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed