SCHEMBL13639004

SCHEMBL13639004

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 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
SCHEMBL13634922 0.90 HDAC3 (0.43) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL13270408 0.88 ACHE (0.42) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL13270465 0.86 KMT2A (0.44) HPGDPKMGAAHTTL3MBTL1
SCHEMBL13270448 0.84 KMT2A (0.56) GAAALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL13634769 0.82 HDAC3 (0.41) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL13162967 0.80 HDAC8 (0.50) HDAC1HDAC8HDAC6
SCHEMBL13634813 0.80 KMT2A (0.41) HPGDGAAALDH1A1HTTL3MBTL1
SCHEMBL2770606 0.79 PIN1 (0.37) HPGDHTTPIM1MEN1MAPK1
SCHEMBL13162968 0.78 HPGD (0.38) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL13163171 0.75 F10 (0.36) HPGDTP53PKMGAAALDH1A1

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