SCHEMBL25828154

SCHEMBL25828154

CCOC(=O)c1ccc2c(c1)nc(NC(=O)c1cc(C)nn1CC)n2Cc1c(F)cc(Br)cc1F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.57
TBK1 Q9UHD2 1/20 0.57
ENPP1 P22413 2/20 0.49

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
SCHEMBL25825967 0.91 ENPP1 (0.58) STING1TBK1ENPP1
SCHEMBL25825966 0.89 STING1 (0.55) STING1TBK1ENPP1
SCHEMBL25828029 0.85 ENPP1 (0.69) STING1TBK1ENPP1
SCHEMBL25427682 0.80 STING1 (0.59) STING1TBK1ENPP1
SCHEMBL25828145 0.77 NPC1 (0.47)
SCHEMBL25825924 0.76 ENPP1 (0.68) STING1TBK1ENPP1
SCHEMBL25825925 0.76 ENPP1 (0.80) STING1TBK1ENPP1
SCHEMBL25825922 0.76 STING1 (0.64) STING1TBK1ENPP1
SCHEMBL22150052 0.76 STING1 (0.77) STING1TBK1ENPP1
SCHEMBL22150415 0.76 STING1 (0.66) STING1TBK1

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