SCHEMBL9071982

SCHEMBL9071982

COc1ccccc1C1CC(OCC2CNCC(=O)N2)=NN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.35
HTR2C P28335 2/20 0.34
PKM P14618 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
REN P00797 1/20 0.33
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2666963 0.77 POLB (0.50) L3MBTL1ALDH1A1PKMMEN1KMT2A
SCHEMBL2667069 0.75 DRD2 (0.39) ALDH1A1HTR2CTSHRPOLBGAA
SCHEMBL9071989 0.74 L3MBTL1 (0.43) L3MBTL1ALDH1A1MEN1KMT2APOLB
SCHEMBL9072000 0.71 HTR7 (0.40) ALDH1A1ADRA1DADRA1A
SCHEMBL1528354 0.70 HSD17B10 (0.44) ALDH1A1IRAK4CHRNA3MAPK1HSD17B10
SCHEMBL9071987 0.70 GSK3B (0.40) ADRA1A
SCHEMBL1528355 0.70 HSD17B10 (0.44) ALDH1A1IRAK4CHRNA3MAPK1HSD17B10
SCHEMBL2667068 0.70 HTR2C (0.40) L3MBTL1ALDH1A1HTR2CMEN1USP2
SCHEMBL2666926 0.66 MAOA (0.44) L3MBTL1ALDH1A1HTR2CPKMMEN1
SCHEMBL2666928 0.66 HTR2C (0.41) L3MBTL1ALDH1A1HTR2CPKMMEN1

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-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed