SCHEMBL5147459

SCHEMBL5147459

COC(=O)c1cc2cccc(Cl)c2s1.O=C(O)c1cc2cccc(Cl)c2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CHRNA7 P36544 3/20 0.46
HTR3A P46098 3/20 0.46
BCL2L1 Q07817 1/20 0.44
ALOX5 P09917 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL2897562 0.96 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2598181 0.89 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7027133 0.88 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5807636 0.88 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18264007 0.80 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2895989 0.79 ALDH1A1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5125588 0.79 HPGD (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15384380 0.79 HPGD (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18851912 0.79 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31651779 0.78 TPMT (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed