SCHEMBL13359225

SCHEMBL13359225

Cc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cccc(NC(=O)c3cccnc3)c2s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CSF1R P07333 2/20 0.52
▸ BRAF P15056 1/20 0.52
▸ LYN P07948 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ LDLR P01130 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 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
SCHEMBL13359226 0.88 MAPK1 (0.55) HTTLMNALYNMAPK9KDM4E
SCHEMBL13359216 0.88 MEN1 (0.56) HTTLMNAL3MBTL1CSF1RBRAF
SCHEMBL3255235 0.82 HPGD (0.56) HTTLMNAL3MBTL1KDM4EMEN1
SCHEMBL13797972 0.81 DHPS (0.47) HTTLMNAL3MBTL1LYNMAPK9
SCHEMBL13359208 0.81 MAPK1 (0.53) HTTCSF1RBRAFKDM4EMEN1
SCHEMBL3255596 0.81 HTT (0.57) HTTLMNAL3MBTL1KDM4EMEN1
SCHEMBL3257628 0.80 LYN (0.72) HTTBRAFLYNMAPK9ALDH1A1
SCHEMBL13359290 0.79 DHPS (0.44) HTTL3MBTL1LYNMAPK9KDM4E
SCHEMBL13811161 0.77 DHPS (0.43) HTTLMNAL3MBTL1LYNMAPK9
SCHEMBL13359217 0.76 MAPT (0.47) HTTLYNMAPK9KDM4EMEN1

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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