SCHEMBL6970690

SCHEMBL6970690

Cc1c(N(C)C(=O)COc2ccccc2)cnn1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MLYCD O95822 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 4/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NOTUM Q6P988 1/20 0.38
PSMB5 P28074 1/20 0.38
LMNA P02545 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6967247 0.75 POLB (0.38) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6969494 0.75 GAA (0.36) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1820575 0.69 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMLYCDKDM4E
SCHEMBL5696786 0.68 MLYCD (0.69) SMN1; SMN2NPC1RAB9AMLYCDKDM4E
SCHEMBL8247643 0.68 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMLYCDKDM4E
SCHEMBL3632818 0.66 SMN1; SMN2 (0.86) SMN1; SMN2NPC1RAB9AMLYCDKDM4E
SCHEMBL1820373 0.66 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMLYCDMAPK1
SCHEMBL31541280 0.65 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMLYCDKDM4E
SCHEMBL1820817 0.65 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMLYCDKDM4E
SCHEMBL25942822 0.64 MLYCD (0.59) SMN1; SMN2NPC1RAB9AMLYCDKDM4E

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed