SCHEMBL14632151

SCHEMBL14632151

CCOC(=O)OC1=C(C)Nc2nc(NC(=O)C(F)(F)F)nn2C1c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 4/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 3/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 7/20 0.37
HPGD P15428 5/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
GLA P06280 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 2/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL231430 0.88 HSD17B10 (0.51) MAPTTP53HSD17B10TSHRPOLB
SCHEMBL15456785 0.83 MAPT (0.42) MAPTTP53HSD17B10POLBGAA
SCHEMBL14632007 0.78 ELANE (0.55) ELANE
SCHEMBL1744039 0.77 MAPT (0.48) MAPTTP53TSHRPOLBGAA
SCHEMBL2742310 0.71 TSHR (0.67) MAPTTP53HSD17B10TSHRPOLB
SCHEMBL2742309 0.71 TSHR (0.57) MAPTTP53HSD17B10TSHRPOLB
SCHEMBL15462620 0.69 ELANE (0.54) ELANE
SCHEMBL231034 0.69 ALDH1A1 (0.55) MAPTTP53HSD17B10TSHRPOLB
SCHEMBL12329664 0.69 ALDH1A1 (0.55) MAPTTP53HSD17B10TSHRPOLB
SCHEMBL2742308 0.69 ALDH1A1 (0.59) MAPTTP53HSD17B10TSHRPOLB

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
EP-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed