SCHEMBL6139947

SCHEMBL6139947

N=C1CCCCN1c1ccc(NC(=O)Cc2ccccc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NR4A1 P22736 1/20 0.46
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.43
MCL1 Q07820 1/20 0.43
ELOVL1 Q9BW60 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL6140425 0.97 RAB9A (0.55) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL6140778 0.80 MAPT (0.64) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL6639527 0.80 NPC1 (0.54) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL6139854 0.78 RAB9A (0.49) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL7153521 0.76 NPC1 (0.60) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL7151949 0.75 NPC1 (0.54) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL1678146 0.74 SMN1; SMN2 (0.54) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL5163049 0.74 NAMPT (0.48) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL1677992 0.74 MEN1 (0.60) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL7150740 0.74 NPC1 (0.57) RAB9ANPC1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499591-A1 CARBOXYLIC ACID AMIDES MERCK PATENT GmbH (DE) 2005-01-26 EP claimed
WO-2003093235-A1 CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2003-11-13 WO claimed