SCHEMBL9124792

SCHEMBL9124792

CCc1nccnc1OC.Cc1cccc2nccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
ELANE P08246 1/20 0.36
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
TSHR P16473 2/20 0.33
PKM P14618 2/20 0.33
GRM5 P41594 1/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL435004 0.78 MAPT (0.54) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL29832653 0.78 MAPT (0.54) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1607631 0.78 CYP2D6 (0.35) ALDH1A1MEN1KMT2AGRM5HPGD
SCHEMBL30610260 0.78 CYP2D6 (0.35) ALDH1A1MEN1KMT2AGRM5HPGD
SCHEMBL30223271 0.67 MEN1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21367400 0.67 PDE3B (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL622763 0.66 NQO2 (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30596999 0.66 NQO2 (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8596016 0.66 MAPT (0.48) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1773094 0.65 PRMT5 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E

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-5391788-A Hydrolyzing the fatty acid glyceride mixture including fatty acids, forming alkali metal salt, reacting with alkaline earth metal compound to form fatty acid alkaline earth salt CHURCH & DWIGHT CO., INC. (US) 1995-02-21 US disclosed