SCHEMBL25826658

SCHEMBL25826658

CCN/C(=C\C(C)=N)C(=O)Nc1nc2cc(C(=O)OCC)cc(OC)c2n1Cc1ccc(B(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.41
STING1 Q86WV6 18/20 0.37
IRF3 Q14653 1/20 0.37

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
SCHEMBL25425118 0.77 ENPP1 (0.68) ENPP1STING1IRF3
SCHEMBL25826584 0.77 STING1 (0.36) ENPP1STING1
SCHEMBL25827513 0.71 STING1 (0.43) ENPP1STING1
SCHEMBL22135039 0.71 STING1 (0.49) STING1
SCHEMBL25425193 0.70 STING1 (0.63) ENPP1STING1IRF3
SCHEMBL22135328 0.68 STING1 (0.51) STING1
SCHEMBL25834113 0.68 NPC1 (0.37) ENPP1STING1
SCHEMBL25826736 0.68 ENPP1 (0.70) ENPP1STING1IRF3
SCHEMBL25437783 0.67 ENPP1 (0.84) ENPP1STING1IRF3
SCHEMBL25258958 0.66 GAA (0.44) ENPP1STING1

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