SCHEMBL25825967

SCHEMBL25825967

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

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.58
STING1 Q86WV6 17/20 0.57
TBK1 Q9UHD2 1/20 0.57

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
SCHEMBL25825966 0.93 STING1 (0.55) ENPP1STING1TBK1
SCHEMBL25828154 0.91 STING1 (0.57) ENPP1STING1TBK1
SCHEMBL25828171 0.85 NPC1 (0.46)
SCHEMBL25825925 0.85 ENPP1 (0.80) ENPP1STING1TBK1
SCHEMBL25825924 0.80 ENPP1 (0.68) ENPP1STING1TBK1
SCHEMBL25427682 0.80 STING1 (0.59) ENPP1STING1TBK1
SCHEMBL25834113 0.78 NPC1 (0.37) ENPP1STING1TBK1
SCHEMBL25828029 0.76 ENPP1 (0.69) ENPP1STING1TBK1
SCHEMBL25437783 0.75 ENPP1 (0.84) ENPP1STING1
SCHEMBL25825922 0.75 STING1 (0.64) ENPP1STING1TBK1

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