SCHEMBL13020114

SCHEMBL13020114

O=c1c(CO)cccn1Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.53
▸ HDAC4 P56524 3/20 0.53
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC7 Q8WUI4 3/20 0.53
▸ HDAC2 Q92769 3/20 0.53
▸ HDAC10 Q969S8 3/20 0.53
▸ HDAC11 Q96DB2 3/20 0.53
▸ HDAC8 Q9BY41 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC9 Q9UKV0 3/20 0.53
▸ HDAC5 Q9UQL6 3/20 0.53
▸ EGLN1 Q9GZT9 2/20 0.49
▸ VEGFA P15692 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 4/20 0.41

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
SCHEMBL29348731 0.78 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4437360 0.77 BRD4 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13020361 0.75 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14322593 0.74 LMNA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23554690 0.73 ALDH1A1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4429575 0.73 KDM4E (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28061870 0.72 CNR2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29348736 0.71 POLB (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5071368 0.70 CNR2 (0.44) ALDH1A1KDM4EMAPTRAB9A
SCHEMBL28477450 0.70 ALDH1A1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010140835-A2 NOVEL PYRIDONE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATING CANCER 연세대학교 산학협력단 (KR) 2010-12-09 — — WO disclosed
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