SCHEMBL7302645

SCHEMBL7302645

CC(C)(C)c1ccc(C(=O)Nc2c(Br)cc(Br)cc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 4/20 0.55
HDAC3 O15379 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC11 Q96DB2 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNK9 Q9NPC2 1/20 0.51
TRPV1 Q8NER1 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAP3K5 Q99683 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL28329534 0.86 PLK1 (0.53) HDAC1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4463757 0.85 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC8HDAC11
SCHEMBL21652228 0.82 TRPV1 (0.64) HDAC1HDAC6HDAC3HDAC8HDAC11
SCHEMBL1982935 0.77 HDAC6 (0.78) HDAC6HDAC3HDAC8HDAC11SMN1; SMN2
SCHEMBL7296335 0.77 HDAC6 (0.78) HDAC6HDAC3HDAC8HDAC11SMN1; SMN2
SCHEMBL7296065 0.75 PKM (0.57) HDAC1HDAC6HDAC3HDAC8HDAC11
SCHEMBL22103855 0.75 MAPT (0.51) HDAC1HDAC6HDAC3HDAC8HDAC11
SCHEMBL7296707 0.75 KCNK9 (0.73) HDAC6HDAC3HDAC8HDAC11SMN1; SMN2
SCHEMBL7292348 0.74 RAB9A (0.62) HDAC1HDAC6HDAC3HDAC8HDAC11
SCHEMBL3288511 0.74 RAB9A (0.68) HDAC1HDAC6HDAC3HDAC8HDAC11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed