SCHEMBL25830913

SCHEMBL25830913

CCOP(=O)(OCC)Oc1ccc(Cn2c(NC(=O)c3ccccc3)nc3cc(C(N)=O)cc(OC)c32)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.63
STING1 Q86WV6 18/20 0.52

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
SCHEMBL25826035 0.91 ENPP1 (0.73) ENPP1STING1
SCHEMBL25297108 0.87 ENPP1 (0.63) ENPP1STING1
SCHEMBL25425227 0.86 ENPP1 (0.59) ENPP1STING1
SCHEMBL25437786 0.86 ENPP1 (0.63) ENPP1STING1
SCHEMBL25436035 0.86 ENPP1 (0.86) ENPP1STING1
SCHEMBL25826044 0.83 ENPP1 (0.62) ENPP1STING1
SCHEMBL25825970 0.80 ENPP1 (0.64) ENPP1STING1
SCHEMBL25436195 0.78 ENPP1 (0.75) ENPP1STING1
SCHEMBL25831469 0.78 ENPP1 (0.48) ENPP1STING1
SCHEMBL25257876 0.78 ENPP1 (0.72) 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