SCHEMBL9677089

SCHEMBL9677089

Nc1ccccc1[S+]([O-])n1cnc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 4/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ ALDH3A1 P30838 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1618548 0.76 TDP1 (0.48) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL3335253 0.73 POLB (0.46) TDP1HTTROCK1MKNK1MKNK2
SCHEMBL9092595 0.73 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL22475379 0.73 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL2794591 0.73 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL2802532 0.71 TDP1 (0.44) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL10531813 0.70 HTT (0.37) TDP1HTTROCK1MKNK1MKNK2
SCHEMBL9560914 0.69 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL636638 0.67 CYP11B1 (0.50) TDP1HTTLMNASMN1; SMN2TNF
SCHEMBL9236926 0.66 TDP1 (0.42) TDP1HTTLMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 — — EP claimed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 — — EP claimed
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 — — EP disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 — — EP disclosed
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