SCHEMBL13811161

SCHEMBL13811161

Cc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cccc(N(O)O)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 1/20 0.43
▸ PPARG P37231 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK14 Q16539 3/20 0.40
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL13797972 0.88 DHPS (0.47) DHPSPPARGHPGDHTTMAPK14
SCHEMBL13359290 0.84 DHPS (0.44) DHPSPPARGHPGDHTTMAPK14
SCHEMBL13359291 0.81 SMN1; SMN2 (0.51) DHPSHPGDHTTNPC1MAPT
SCHEMBL13359266 0.79 MAPK14 (0.59) DHPSPPARGHPGDHTTMAPK14
SCHEMBL13810713 0.78 MAPK14 (0.70) MAPK14LYNMAPK9
SCHEMBL13359225 0.77 HTT (0.52) HPGDHTTKDM4ENPC1MAPT
SCHEMBL13797975 0.76 MAPK14 (0.55) PPARGHPGDHTTMAPK14KDM4E
SCHEMBL25032982 0.73 HPGD (0.51) PPARGHPGDHDAC3HDAC4HDAC1
SCHEMBL13359167 0.71 MAPK14 (0.54) PPARGHPGDHTTMAPK14HDAC3
SCHEMBL20436796 0.68 PPARG (0.63) PPARGHPGDHTTKDM4ERAB9A

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 1 patent. 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
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