SCHEMBL7302861

SCHEMBL7302861

CC(C)(C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
TP53 P04637 1/20 0.65
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
KCNK9 Q9NPC2 3/20 0.64
KCNK3 O14649 3/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
KCNE1 P15382 1/20 0.58
KCNQ1 P51787 1/20 0.58
KDM4E B2RXH2 1/20 0.58
TRPV1 Q8NER1 1/20 0.57

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
SCHEMBL1291198 0.99 RAB9A (0.73) NPC1RAB9ASMN1; SMN2TP53HDAC8
SCHEMBL3674558 0.84 KCNK3 (0.71) NPC1RAB9ASMN1; SMN2TP53KCNK9
SCHEMBL8363018 0.83 SMN1; SMN2 (0.76) NPC1RAB9ASMN1; SMN2TP53KCNK9
SCHEMBL7303572 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HDAC8HDAC6
SCHEMBL7302565 0.82 KCNK9 (0.76) NPC1RAB9ASMN1; SMN2TP53HDAC8
SCHEMBL2685329 0.82 KCNK9 (0.67) NPC1RAB9ASMN1; SMN2TP53HDAC8
SCHEMBL7074245 0.82 RAB9A (0.60) NPC1RAB9ASMN1; SMN2KCNK9KCNK3
SCHEMBL31078038 0.82 RORC (0.63) NPC1RAB9AKCNK9KCNK3MEN1
SCHEMBL21588672 0.81 SMN1; SMN2 (0.76) NPC1RAB9ASMN1; SMN2TP53HDAC8
SCHEMBL21588759 0.81 PTGS1 (0.72) NPC1RAB9ASMN1; SMN2TP53HDAC8

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