SCHEMBL9869654

SCHEMBL9869654

COC(=O)c1ncccc1SC(=O)NN(C)C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
PSMD14 O00487 2/20 0.37
MAP2K1 Q02750 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MPO P05164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL3086534 0.74 L3MBTL1 (0.69) L3MBTL1PSMD14MAP2K1ALOX15HTT
SCHEMBL11373363 0.72 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4ETDP1PKM
SCHEMBL9870843 0.71 L3MBTL1 (0.47) L3MBTL1MAP2K1ALOX15HTTALDH1A1
SCHEMBL31407999 0.70 L3MBTL1 (0.64) L3MBTL1PSMD14MAP2K1ALOX15HTT
SCHEMBL69177 0.70 L3MBTL1 (0.64) L3MBTL1MAP2K1ALOX15HTTALDH1A1
Hydrochloric Acid SCHEMBL31407932 0.69 L3MBTL1 (0.62) L3MBTL1PSMD14MAP2K1ALOX15HTT
Hydrochloric Acid SCHEMBL31408057 0.69 L3MBTL1 (0.62) L3MBTL1PSMD14MAP2K1ALOX15HTT
SCHEMBL13058362 0.69 L3MBTL1 (0.64) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31098508 0.69 L3MBTL1 (0.54) L3MBTL1MAP2K1ALOX15HTTALDH1A1
SCHEMBL69990 0.69 L3MBTL1 (0.62) L3MBTL1MAP2K1ALOX15HTTALDH1A1

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