SCHEMBL5068331

SCHEMBL5068331

CCOC(=O)c1c(C)nc2cc(-c3ccccc3)nn2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
RAB9A P51151 6/20 0.55
ALDH1A1 P00352 6/20 0.55
NPC1 O15118 6/20 0.55
HPGD P15428 4/20 0.55
GAA P10253 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ADORA3 P0DMS8 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RXFP1 Q9HBX9 2/20 0.50

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
SCHEMBL5066763 0.83 POLB (0.45) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL8570609 0.81 MAPT (0.62) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL13501425 0.78 HSD17B10 (0.60) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL21775472 0.77 MAPT (0.57) MAPTKDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL12091143 0.77 MAPT (0.48) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL5055343 0.77 MAPT (0.60) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL1665475 0.76 MAPT (0.63) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL3559993 0.76 HSD17B10 (0.58) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL5071859 0.76 MAPT (0.58) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL8928795 0.76 MAPT (0.52) MAPTHSD17B10KDM4ESMN1; SMN2RAB9A

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-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed