SCHEMBL25831503

SCHEMBL25831503

COc1cc(C(N)=O)cc2nc(NC(=O)c3cc(C)nn3C)n(CCc3ccc(OP(O)O)cc3)c12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.60
ENPP1 P22413 2/20 0.58

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
SCHEMBL25826039 0.89 ENPP1 (0.73) STING1ENPP1
SCHEMBL25825970 0.87 ENPP1 (0.64) STING1ENPP1
SCHEMBL19437625 0.84 STING1 (0.83) STING1ENPP1
SCHEMBL25426219 0.81 STING1 (0.79) STING1ENPP1
SCHEMBL25424172 0.81 ENPP1 (0.86) STING1ENPP1
SCHEMBL25425859 0.81 STING1 (0.78) STING1ENPP1
SCHEMBL25436195 0.80 ENPP1 (0.75) STING1ENPP1
SCHEMBL25437178 0.80 ENPP1 (0.86) STING1ENPP1
SCHEMBL25425155 0.80 STING1 (0.76) STING1ENPP1
SCHEMBL25825980 0.78 ENPP1 (0.69) STING1ENPP1

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