SCHEMBL12466786

SCHEMBL12466786

O=CCc1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
KDM1A O60341 9/20 0.40
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL12466760 0.83 HDAC1 (0.43) HDAC1HDAC6KDM1AKDM4EMAPT
SCHEMBL12466716 0.80 KDM1A (0.44) KDM1AATMKDM4EMAPTKMT2A
SCHEMBL6714534 0.80 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12466637 0.79 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15064545 0.72 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15064543 0.72 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15064551 0.71 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15064587 0.71 TP53 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15064588 0.71 TP53 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15064552 0.71 HDAC3 (0.36) 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-2012102965-A1 4-ANILINOFURO[2,3-b]QUINOLINE DERIVATIVES, THEIR PREPARATION PROCESSES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (CN) 2012-08-02 WO disclosed