SCHEMBL25257876

SCHEMBL25257876

COc1cc(C(N)=O)cc2nc(NC(=O)c3cnc(C)cn3)n(Cc3ccc(OP(=O)(O)O)cc3)c12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.72
STING1 Q86WV6 18/20 0.48

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
SCHEMBL25297108 0.92 ENPP1 (0.63) ENPP1STING1
SCHEMBL25831097 0.90 ENPP1 (0.59) ENPP1STING1
SCHEMBL30581421 0.90 ENPP1 (0.59) ENPP1STING1
SCHEMBL25826035 0.86 ENPP1 (0.73) ENPP1STING1
SCHEMBL25826047 0.85 ENPP1 (0.64) ENPP1STING1
SCHEMBL25300644 0.85 ENPP1 (0.53) ENPP1STING1
SCHEMBL30581461 0.85 ENPP1 (0.53) ENPP1STING1
SCHEMBL25826036 0.84 ENPP1 (1.00) ENPP1STING1
SCHEMBL25435214 0.84 ENPP1 (0.71) ENPP1STING1
SCHEMBL25826039 0.79 ENPP1 (0.73) 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 2 patents. 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
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