SCHEMBL9870843

SCHEMBL9870843

COC(=O)c1ncccc1OC(=S)NN(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MAP2K1 Q02750 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL312146 0.76 L3MBTL1 (0.60) L3MBTL1MAP2K1KDM4EKMT2AALDH1A1
SCHEMBL3653582 0.75 L3MBTL1 (0.58) L3MBTL1MAP2K1KDM4EKMT2AGRM5
Hydrochloric Acid SCHEMBL11097642 0.75 L3MBTL1 (0.58) L3MBTL1MAP2K1KDM4EKMT2AALDH1A1
SCHEMBL7833009 0.74 L3MBTL1 (0.51) L3MBTL1MAP2K1KDM4ELMNAKMT2A
SCHEMBL2450038 0.73 L3MBTL1 (0.53) L3MBTL1MAP2K1KDM4EKMT2AGRM5
SCHEMBL3602782 0.72 L3MBTL1 (0.55) L3MBTL1KDM4EKMT2AGRM5ALDH1A1
SCHEMBL9869654 0.71 L3MBTL1 (0.62) L3MBTL1MAP2K1KDM4EKMT2AALDH1A1
SCHEMBL28269519 0.71 L3MBTL1 (0.54) L3MBTL1MAP2K1KDM4EKMT2AGRM5
SCHEMBL7083185 0.71 L3MBTL1 (0.54) L3MBTL1MAP2K1KDM4ELMNAKMT2A
SCHEMBL17028439 0.70 L3MBTL1 (0.53) L3MBTL1MAP2K1KDM4ELMNAKMT2A

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
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed