SCHEMBL14626136

SCHEMBL14626136

CCOC(=O)c1cnc(N2CCCC2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PTPN11 Q06124 4/20 0.55
SMN1; SMN2 Q16637 6/20 0.53
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 5/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.51
PDE4B Q07343 1/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL10322693 0.90 PTPN11 (0.56) MAPTPOLBMEN1KMT2APTPN11
SCHEMBL31254423 0.89 PTPN11 (0.58) MAPTPOLBMEN1KMT2APTPN11
SCHEMBL244184 0.89 KDM4E (0.66) MAPTKMT2APTPN11SMN1; SMN2ALDH1A1
SCHEMBL29046853 0.87 PTPN11 (0.60) MAPTPTPN11SMN1; SMN2ALDH1A1RAB9A
SCHEMBL30503022 0.87 PTPN11 (0.60) MAPTPTPN11SMN1; SMN2ALDH1A1RAB9A
SCHEMBL28059200 0.85 POLB (0.68) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14626215 0.85 MAPT (0.57) MAPTPOLBMEN1KMT2APTPN11
SCHEMBL31254484 0.85 PTPN11 (0.55) MAPTPOLBMEN1KMT2APTPN11
SCHEMBL31254412 0.85 LMNA (0.56) MAPTPOLBPTPN11SMN1; SMN2ALDH1A1
SCHEMBL9299149 0.84 PTPN11 (0.60) MAPTPOLBPTPN11SMN1; SMN2ALDH1A1

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