SCHEMBL30690132

SCHEMBL30690132

COc1ccc(S(=O)(=O)Nc2cc3onc(C)c3cc2[N+](=O)[O-])cc1OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.55
BRD4 O60885 14/20 0.54
EDNRB P24530 1/20 0.53
ALDH1A1 P00352 2/20 0.53
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL30690118 0.73 BRD4 (0.45) BRD4ALDH1A1
SCHEMBL28736608 0.72 BRD4 (0.53) EDNRABRD4EDNRBALDH1A1KEAP1
SCHEMBL30522027 0.72 BRD4 (0.53) EDNRABRD4EDNRBALDH1A1KEAP1
SCHEMBL26376309 0.70 POLB (0.56) EDNRAALDH1A1POLB
SCHEMBL7229182 0.70 EDNRA (1.00) EDNRAEDNRB
SCHEMBL9760642 0.69 ALDH1A1 (0.62) ALDH1A1POLB
SCHEMBL29833241 0.67 BRD4 (1.00) EDNRABRD4EDNRB
SCHEMBL22374688 0.67 BRD4 (1.00) EDNRABRD4EDNRB
SCHEMBL6674669 0.67 LMNA (0.67) ALDH1A1POLB
SCHEMBL6674388 0.67 LMNA (0.67) ALDH1A1POLB

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
CN-117304205-A Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof 中国科学院广州生物医药与健康研究院 2023-12-29 CN disclosed