SCHEMBL7300937

SCHEMBL7300937

CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(N)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC3 O15379 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KCNK3 O14649 1/20 0.52
NR1H4 Q96RI1 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL14972591 0.85 MEN1 (0.66) NPC1RAB9ASMN1; SMN2HDAC3MEN1
SCHEMBL11195964 0.84 MEN1 (0.59) TRPV1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL7302228 0.83 RAB9A (0.69) TRPV1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL23352871 0.82 TRPV1 (0.68) TRPV1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL6814178 0.82 KCNQ3 (0.60) NPC1RAB9ASMN1; SMN2HDAC6MEN1
SCHEMBL27474740 0.82 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HDAC3KCNK9
SCHEMBL7916064 0.82 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HDAC3HDAC6
SCHEMBL16097358 0.80 NPC1 (0.61) TRPV1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL1251524 0.79 HDAC6 (0.65) TRPV1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL4191155 0.79 GAA (0.62) NPC1RAB9ASMN1; SMN2KMT2AKCNK3

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