SCHEMBL9375945

SCHEMBL9375945

CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC11 Q96DB2 1/20 0.53
TRPV1 Q8NER1 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TP53 P04637 2/20 0.50
CYP26A1 O43174 1/20 0.49
CYP3A4 P08684 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.48
NR1H4 Q96RI1 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KCNK9 Q9NPC2 1/20 0.47

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
SCHEMBL9375391 0.86 CYP26A1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9376571 0.86 CYP26A1 (0.52) MEN1KMT2ASMN1; SMN2NPC1TP53
SCHEMBL9375261 0.85 BACE1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9379538 0.85 MEN1 (0.53) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL9840186 0.85 CYP26A1 (0.51) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL9380901 0.85 MEN1 (0.53) MEN1KMT2AHDAC6HDAC3HDAC8
SCHEMBL9374793 0.85 CYP26A1 (0.53) MEN1KMT2AHDAC6HDAC8CYP26A1
SCHEMBL9375240 0.84 KMT2A (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9380425 0.83 MAPT (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10478091 0.83 TRPV1 (0.52) MEN1KMT2AHDAC6HDAC3HDAC8

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-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP disclosed