SCHEMBL13797973

SCHEMBL13797973

COCCNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)ccc4OC)sc23)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK14 Q16539 1/20 0.44
▸ HCAR3 P49019 1/20 0.43
▸ NR1H4 Q96RI1 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ HDAC1 Q13547 2/20 0.42

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
SCHEMBL13359289 0.89 LYN (0.60) LYNMAPK9KMT2AMEN1POLB
SCHEMBL13359237 0.89 LYN (0.55) LYNMAPK9KMT2AMEN1POLB
SCHEMBL13797974 0.87 LYN (0.74) LYNMAPK9KMT2AMEN1POLB
SCHEMBL13797963 0.86 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13359226 0.82 MAPK1 (0.55) LYNMAPK9KMT2AMEN1POLB
SCHEMBL13359265 0.79 KMT2A (0.43) LYNMAPK9KMT2AMEN1POLB
SCHEMBL13797960 0.77 LYN (0.74) LYNMAPK9MAPK14BRAF
SCHEMBL13797971 0.77 LYN (0.76) LYNMAPK9MAPK14HDAC1BRAF
SCHEMBL13798013 0.77 ALDH1A1 (0.54) LYNMAPK9KMT2AMEN1POLB
SCHEMBL13797964 0.76 LYN (0.82) LYNMAPK9MAPK14BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
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