SCHEMBL13359167

SCHEMBL13359167

COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Cl)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 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
▸ POLB P06746 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ LMNA P02545 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13797975 0.88 MAPK14 (0.55) MAPK14POLBALDH1A1MAPTHPGD
SCHEMBL13359147 0.82 MAPK14 (0.64) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL13798013 0.81 ALDH1A1 (0.54) MAPK14HDAC1HDAC2HDAC8HDAC6
SCHEMBL13359122 0.80 MAPK14 (0.73) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL13359226 0.80 MAPK1 (0.55) MAPK14POLBALDH1A1MAPTHPGD
SCHEMBL13359142 0.77 MAPT (0.48) MAPK14POLBALDH1A1MAPTHPGD
SCHEMBL13797974 0.75 LYN (0.74) MAPK14POLBALDH1A1MAPTHPGD
SCHEMBL13797972 0.75 DHPS (0.47) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL2897562 0.75 HDAC3 (0.68) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL13359290 0.75 DHPS (0.44) MAPK14HDAC3HDAC4HDAC1HDAC7

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