SCHEMBL6139854

SCHEMBL6139854

CON=C1CCCN1c1ccc(NC(=O)Cc2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.40
NR4A1 P22736 1/20 0.40
ELOVL1 Q9BW60 2/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL6141494 0.85 ALDH1A1 (0.57) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6141495 0.85 ALDH1A1 (0.57) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6140425 0.81 RAB9A (0.55) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL6139947 0.78 RAB9A (0.54) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL5631939 0.71 CYP1A2 (0.40) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL5631940 0.71 CYP1A2 (0.40) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL7146259 0.71 RAB9A (0.53) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL7157785 0.71 NPC1 (0.58) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL6139855 0.71 HIF1A (0.38)
SCHEMBL6139850 0.71 HIF1A (0.38)

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 disclosed
WO-2003093235-A1 CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2003-11-13 WO disclosed