SCHEMBL13359289

SCHEMBL13359289

COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cccc(NC(=O)c3ccc(NCC4CC4)nc3)c2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ DHODH Q02127 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL13797974 0.89 LYN (0.74) LYNMAPK9MEN1KMT2APOLB
SCHEMBL13797973 0.89 LYN (0.58) LYNMAPK9MEN1KMT2APOLB
SCHEMBL13797964 0.86 LYN (0.82) LYNMAPK9MAPK14BRAF
SCHEMBL13359237 0.84 LYN (0.55) LYNMAPK9MEN1KMT2APOLB
SCHEMBL13359165 0.83 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13359226 0.80 MAPK1 (0.55) LYNMAPK9MEN1KMT2APOLB
SCHEMBL13797963 0.75 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL3255234 0.75 LYN (1.00) LYNMAPK9MAPK14BRAF
SCHEMBL13798013 0.75 ALDH1A1 (0.54) LYNMAPK9MEN1KMT2APOLB
SCHEMBL13359142 0.74 MAPT (0.48) LYNMAPK9MEN1KMT2APOLB

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
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
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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