SCHEMBL13359217

SCHEMBL13359217

COc1c(C(C)(C)C)cc(NC(=O)c2cc3cccc(NC(=O)c4cccnc4)c3s2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LYN P07948 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ ABCB1 P08183 2/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3255235 0.79 HPGD (0.56) MAPTABCB1TSHRALDH1A1HTT
SCHEMBL13359226 0.77 MAPK1 (0.55) MAPTNPC1LYNMAPK9TSHR
SCHEMBL3257628 0.77 LYN (0.72) MAPTLYNMAPK9TSHRALDH1A1
SCHEMBL13359225 0.76 HTT (0.52) MAPTNPC1LYNMAPK9ALDH1A1
SCHEMBL13359216 0.75 MEN1 (0.56) MAPTNPC1TSHRALDH1A1HTT
SCHEMBL13359208 0.74 MAPK1 (0.53) MAPTTSHRALDH1A1CHRM4HTT
SCHEMBL3255596 0.74 HTT (0.57) MAPTNPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL13359241 0.69 LYN (0.55) MAPTLYNMAPK9TDP1HPGD
SCHEMBL13797958 0.68 LYN (0.72) LYNMAPK9
SCHEMBL13798003 0.68 LYN (0.78) LYNMAPK9

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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