SCHEMBL25826736

SCHEMBL25826736

CCOC(=O)c1cc(OC)c2c(c1)nc(NC(=O)c1cc(C)nn1CC)n2Cc1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.70
STING1 Q86WV6 18/20 0.66
IRF3 Q14653 1/20 0.61

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
SCHEMBL25425095 0.92 STING1 (0.69) ENPP1STING1IRF3
SCHEMBL25437783 0.91 ENPP1 (0.84) ENPP1STING1IRF3
SCHEMBL25425118 0.91 ENPP1 (0.68) ENPP1STING1IRF3
SCHEMBL25427705 0.89 ENPP1 (0.68) ENPP1STING1IRF3
SCHEMBL25257029 0.86 ENPP1 (0.63) ENPP1STING1
SCHEMBL30581465 0.86 ENPP1 (0.63) ENPP1STING1
SCHEMBL29036937 0.85 STING1 (0.56) ENPP1STING1IRF3
SCHEMBL25831192 0.84 ENPP1 (0.84) ENPP1STING1
SCHEMBL25425859 0.84 STING1 (0.78) ENPP1STING1
SCHEMBL25424520 0.83 ENPP1 (0.73) ENPP1STING1IRF3

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
CN-116444544-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2023-07-18 CN 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