SCHEMBL26423429

SCHEMBL26423429

Nc1cc(Sc2ccco2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PDE7A Q13946 8/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL30468965 0.78 TDP1 (0.32) TDP1TSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL24359523 0.78 TDP1 (0.32) TDP1TSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL2419394 0.77 PDE7A (0.56) TDP1TSHRPDE7AMAPK1MAPT
SCHEMBL5859889 0.75 PDE7A (0.50) TDP1TSHRPDE7AMAPK1MAPT
SCHEMBL11726468 0.75 MAPT (0.52) TDP1TSHRPDE7AMAPK1MAPT
SCHEMBL11631033 0.73 PDE7A (0.55) TDP1TSHRPDE7AMAPK1MAPT
SCHEMBL5857819 0.73 PDE7A (0.55) TDP1TSHRPDE7AMAPK1MAPT
SCHEMBL11653018 0.73 PDE7A (0.63) TDP1TSHRPDE7AMAPK1MAPT
SCHEMBL5858703 0.73 PDE7A (0.56) TDP1TSHRPDE7AMAPK1MAPT
SCHEMBL4607929 0.73 PDE7A (0.55) TDP1TSHRPDE7AMAPK1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974021-A Preparation method of thiobenzimidazole derivative and novel intermediate for same 高丽大学校产学协力团 2024-11-15 — — CN disclosed
WO-2023191533-A1 THIOBENZIMIDAZOLE DERIVATIVE PREPARATION METHOD AND NOVEL INTERMEDIATE THEREFOR 고려대학교 산학협력단 2023-10-05 — — WO disclosed
CN-116348114-A Thiobenzimidazole derivatives or pharmaceutically acceptable salts thereof and use thereof 高丽大学校产学协力团 2023-06-27 — — CN disclosed
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