SCHEMBL11246170

SCHEMBL11246170

COC(=O)CNS(=O)(=O)c1c(C(=O)OC)sc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ LMNA P02545 6/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ATM Q13315 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TP53 P04637 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL11169336 0.82 LMNA (0.58) MAPTLMNAMAPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11391498 0.80 LMNA (0.63) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL10969896 0.79 LMNA (0.61) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL10971142 0.79 MAPT (0.64) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL15698920 0.78 MAPT (0.57) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL10972574 0.73 LMNA (0.55) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL1031488 0.73 LMNA (0.71) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL11393449 0.72 MAPT (0.54) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL31305767 0.72 LMNA (0.69) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL31305775 0.72 LMNA (0.69) MAPTLMNAMAPK1KDM4EALDH1A1

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
US-4348519-A ANTIINFLAMMATORY, ANALGESIC, ANTIRHEUMATIC, ANTITHROMBOTIC HOFFMANN-LA ROCHE INC. (US) 1982-09-07 — — US disclosed
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