SCHEMBL2668637

SCHEMBL2668637

CNC(=O)c1cccc(N(CC2CCCC2)C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
HTT P42858 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC7A5 Q01650 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 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
SCHEMBL2668733 0.86 NPC1 (0.49) KDM4ESMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL9071660 0.86 OPRM1 (0.46) OPRM1OPRD1BTK
SCHEMBL2668510 0.81 NPSR1 (0.44) SMN1; SMN2NPC1RAB9AHTTHDAC6
SCHEMBL2668459 0.78 KMT2A (0.43) MEN1KMT2ABTK
SCHEMBL9071880 0.78 GHSR (0.47) SMN1; SMN2HSD17B10NPC1RAB9APOLB
SCHEMBL9071953 0.76 NPC1 (0.47) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL2668712 0.75 HTT (0.45) SMN1; SMN2NPC1HTTMEN1KMT2A
SCHEMBL2668624 0.75 NPSR1 (0.52) SMN1; SMN2HSD17B10RAB9AHTTPOLB
SCHEMBL27736470 0.74 KDM4E (0.56) KDM4ESMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL26347381 0.73 NR1H4 (0.42) RAB9AKMT2ATSHROPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed