SCHEMBL13634922

SCHEMBL13634922

CCCNC(=O)c1cc(CCl)ccc1NC(=O)c1csc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.39
PIM1 P11309 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL13634769 0.93 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13639004 0.90 HPGD (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13270408 0.79 ACHE (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13634771 0.78 S1PR1 (0.49) HDAC1HDAC8HDAC6
SCHEMBL3436865 0.77 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13634924 0.77 GLS (0.39) PIM1HPGD
SCHEMBL13270465 0.76 KMT2A (0.44) GAAL3MBTL1MAPTHPGDLMNA
SCHEMBL13634876 0.75 GLS (0.41) HDAC3HDAC2KMT2A
SCHEMBL13634668 0.74 F10 (0.37) GAAMAPTALDH1A1HPGDLMNA
SCHEMBL13270448 0.74 KMT2A (0.56) GAAL3MBTL1MAPTALDH1A1KMT2A

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed