SCHEMBL7296707

SCHEMBL7296707

CC(C)(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.73
HDAC8 Q9BY41 3/20 0.69
HDAC6 Q9UBN7 3/20 0.69
HDAC3 O15379 2/20 0.69
SMN1; SMN2 Q16637 4/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
KCNK3 O14649 1/20 0.66
NR1H4 Q96RI1 3/20 0.65
RAB9A P51151 5/20 0.63
TP53 P04637 4/20 0.63
NPC1 O15118 3/20 0.63
MAPT P10636 2/20 0.63
ALDH1A1 P00352 2/20 0.63
THRB P10828 1/20 0.63
LMNA P02545 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
CA1 P00915 1/20 0.63

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
SCHEMBL21588672 0.88 SMN1; SMN2 (0.76) KCNK9HDAC8HDAC6HDAC3SMN1; SMN2
SCHEMBL25669613 0.87 HDAC8 (0.81) KCNK9HDAC8HDAC6HDAC3SMN1; SMN2
SCHEMBL28199719 0.85 KCNK9 (0.58) KCNK9HDAC8HDAC6HDAC3SMN1; SMN2
SCHEMBL19157152 0.84 RAB9A (0.63) KCNK9SMN1; SMN2MEN1KMT2AKCNK3
SCHEMBL7292693 0.83 KCNK9 (0.75) KCNK9HDAC8HDAC6HDAC3SMN1; SMN2
SCHEMBL7293743 0.83 KCNK3 (0.86) KCNK9HDAC8HDAC6HDAC3SMN1; SMN2
SCHEMBL7295509 0.83 KCNK9 (0.80) KCNK9HDAC8HDAC6HDAC3SMN1; SMN2
SCHEMBL8462114 0.83 KMT2A (0.69) KCNK9SMN1; SMN2MEN1KMT2AKCNK3
SCHEMBL22191811 0.82 MEN1 (0.78) KCNK9HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL12136759 0.82 KCNK3 (0.70) KCNK9HDAC8HDAC6HDAC3SMN1; SMN2

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