SCHEMBL7068434

SCHEMBL7068434

N#CC(c1ccnc(OCc2cccnc2O)n1)c1nc2ccccc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.72
MAPK9 P45984 10/20 0.72
MAPK8 P45983 2/20 0.59
HPGD P15428 2/20 0.36
MAPT P10636 6/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4020865 0.84 MAPK10 (0.77) MAPK10MAPK9MAPK8HPGDMAPT
SCHEMBL1518907 0.84 MAPK10 (1.00) MAPK10MAPK9MAPK8HPGDMAPT
SCHEMBL2881240 0.82 MAPK10 (0.88) MAPK10MAPK9MAPK8HPGDMAPT
SCHEMBL2883226 0.82 MAPK10 (0.83) MAPK10MAPK9MAPK8MAPTMEN1
SCHEMBL5668135 0.81 MAPK10 (0.68) MAPK10MAPK9MAPK8MEN1KMT2A
SCHEMBL4197274 0.80 MAPK10 (0.80) MAPK10MAPK9MAPK8MAPTMEN1
SCHEMBL1518836 0.79 MAPK10 (1.00) MAPK10MAPK9MAPK8HPGDMAPT
SCHEMBL4026695 0.79 MAPK10 (0.81) MAPK10MAPK9MAPK8MAPTMEN1
SCHEMBL4021298 0.78 MAPK10 (0.77) MAPK10MAPK9MAPK8HPGDMAPT
SCHEMBL3744824 0.78 MAPK10 (0.87) MAPK10MAPK9MAPK8HPGDMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 WO disclosed