SCHEMBL9236926

SCHEMBL9236926

C=CC[S+]([O-])n1cnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ TNF P01375 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 4/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL9560914 0.79 TDP1 (0.46) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL636638 0.76 CYP11B1 (0.50) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL1618548 0.76 TDP1 (0.48) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL2794591 0.73 TDP1 (0.46) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL9092595 0.73 TDP1 (0.46) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL22475379 0.73 TDP1 (0.46) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL630973 0.73 POLB (0.43) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL10587534 0.72 POLB (0.39) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL2802532 0.71 TDP1 (0.44) TDP1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL326813 0.68 TDP1 (0.63) TDP1LMNASMN1; SMN2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 — — EP claimed
WO-1996021662-A1 THE USE OF HETEROCYCLIC COMPOUNDS AS ANTIOXIDANTS, RADICAL SCAVENGERS, Fe2+ COMPLEXING AGENTS, TISSUE- AND/OR NEUROPROTECTANTS RISE FRODE (NO) 1996-07-18 — — WO disclosed
EP-0218336-B1 USE OF BENZYLSULFINYLBENZIMIDAZOLES AS CYTOPROTECTIVE AGENTS FOR THE GASTROINTESTINAL TRACT NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-18 — — EP disclosed
US-4824856-A Method of protecting gastrointestinal tract NIPPON CHEMIPHAR CO., LTD. (JP) 1989-04-25 — — US disclosed
EP-0218336-A2 Use of benzylsulfinylbenzimidazoles as cytoprotective agents for the gastrointestinal tract NIPPON CHEMIPHAR CO., LTD. (JP) 1987-04-15 — — EP disclosed
EP-0130729-A2 Alkylthio- and alkylsulfinyl-benzimidazole derivatives THE UPJOHN COMPANY (US) 1985-01-09 — — EP disclosed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 — — EP disclosed
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