SCHEMBL9015372

SCHEMBL9015372

NNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.68
HDAC7 Q8WUI4 3/20 0.68
HDAC5 Q9UQL6 3/20 0.68
CTSD P07339 1/20 0.64
CNR1 P21554 3/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CNR2 P34972 2/20 0.46
FFAR2 O15552 1/20 0.46
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 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
SCHEMBL27887015 0.82 HDAC4 (0.50) HDAC4HDAC7HDAC5CTSDCNR1
SCHEMBL9059780 0.82 LMNA (0.53) HDAC4HDAC7HDAC5CTSDCNR1
SCHEMBL2848402 0.81 HDAC4 (1.00) HDAC4HDAC7HDAC5CNR1S1PR1
SCHEMBL11871960 0.80 HDAC4 (0.48) HDAC4HDAC7HDAC5CTSDCNR1
SCHEMBL27828567 0.80 HDAC4 (0.48) HDAC4HDAC7HDAC5CTSDCNR1
SCHEMBL1978851 0.79 HDAC4 (0.68) HDAC4HDAC7HDAC5CNR1ALDH1A1
SCHEMBL4385009 0.79 HDAC4 (0.47) HDAC4HDAC7HDAC5CTSDCNR1
SCHEMBL744074 0.78 CTSD (1.00) HDAC4HDAC7HDAC5CTSDCNR1
SCHEMBL10441523 0.77 CTSD (0.44) HDAC4HDAC7HDAC5CTSDCNR1
SCHEMBL4519669 0.76 FFAR2 (0.55) HDAC4HDAC7HDAC5LMNAKDM4E

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-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed