SCHEMBL18197858

SCHEMBL18197858

Nc1ncccc(Cc2nnc3cccnn23)cco1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.44
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
KDM5A P29375 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
HTT P42858 1/20 0.33
MAPK14 Q16539 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 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
SCHEMBL18197871 0.79 MET (0.47) METALDH1A1HSD17B10HPGDMAPT
SCHEMBL18197866 0.77 ALDH1A1 (0.47) METALDH1A1HSD17B10HPGDMAPT
SCHEMBL18197862 0.73 MET (0.60) MET
SCHEMBL1659800 0.72 MET (0.43) MET
SCHEMBL19338425 0.70 MET (0.49) MET
SCHEMBL18197888 0.66 MET (0.41) MET
SCHEMBL18197881 0.66 MET (0.55) METALDH1A1HSD17B10HPGDMAPT
SCHEMBL9934742 0.65 PDE4A (0.38) METALDH1A1
SCHEMBL14048229 0.65 POLB (0.47) METALDH1A1MAPK14GABRA1GABRG2
SCHEMBL18197879 0.65 MET (0.36) METALDH1A1

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-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed