SCHEMBL14625599

SCHEMBL14625599

CSc1ncc(C(=O)N(C)C)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 6/20 0.40
ALDH1A1 P00352 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AHR P35869 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4354333 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL3084614 0.81 KDM4E (0.54) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL6073484 0.81 RAB9A (0.49) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL5209725 0.81 PIM1 (0.45) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL14590426 0.78 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL7563419 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL11249332 0.75 KDM4E (0.37) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL14620831 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL4439972 0.74 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AKDM4ERAB9A
SCHEMBL22493927 0.74 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AKDM4ERAB9A

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
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed