SCHEMBL13359266

SCHEMBL13359266

Cc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.59
▸ HDAC2 Q92769 4/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ DHPS P49366 2/20 0.53
▸ TMIGD3 P0DMS9 4/20 0.50
▸ ADORA1 P30542 4/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL13359147 0.84 MAPK14 (0.64) MAPK14HDAC2HDAC1HDAC3HDAC4
SCHEMBL13797972 0.84 DHPS (0.47) MAPK14HDAC2HDAC1HDAC3HDAC4
SCHEMBL13359290 0.81 DHPS (0.44) MAPK14HDAC2HDAC1HDAC3HDAC4
SCHEMBL13811161 0.79 DHPS (0.43) MAPK14HDAC2HDAC1HDAC3HDAC4
SCHEMBL13359291 0.78 SMN1; SMN2 (0.51) DHPSCASP3SENP8SENP7SENP6
SCHEMBL20436796 0.76 PPARG (0.63) PPARGHPGDHTTRAB9A
SCHEMBL25422408 0.76 HDAC2 (0.55) MAPK14HDAC2HDAC1HDAC3HDAC4
SCHEMBL30464306 0.76 HDAC2 (0.55) MAPK14HDAC2HDAC1HDAC3HDAC4
SCHEMBL13359285 0.74 MAPK14 (1.00) MAPK14HDAC2HDAC1HDAC3HDAC4
SCHEMBL13359225 0.74 HTT (0.52) HPGDHTTRAB9A

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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