SCHEMBL6830400

SCHEMBL6830400

N#CC(c1ccnc(NC(c2nc3ccccc3s2)C(C(=O)O)c2ccnc(NCCCO)n2)n1)c1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.70
MAPK9 P45984 10/20 0.70
MAPK8 P45983 2/20 0.57
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
IDH1 O75874 1/20 0.33
ALOX5 P09917 1/20 0.33
ILK Q13418 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4026702 0.89 MAPK10 (0.88) MAPK10MAPK9MAPK8HPGDALOX5
SCHEMBL1518642 0.83 MAPK10 (1.00) MAPK10MAPK9MAPK8HPGDALOX5
SCHEMBL5596240 0.82 MAPK10 (0.78) MAPK10MAPK9MAPK8HPGDHSD17B10
SCHEMBL5975967 0.80 MAPK10 (0.69) MAPK10MAPK9MAPK8HPGDHSD17B10
SCHEMBL5102944 0.80 MAPK10 (0.74) MAPK10MAPK9MAPK8HPGDHSD17B10
SCHEMBL4023709 0.80 MAPK10 (0.78) MAPK10MAPK9MAPK8ALOX5MEN1
SCHEMBL4020889 0.79 MAPK10 (0.77) MAPK10MAPK9MAPK8ALOX5ILK
SCHEMBL4022971 0.78 MAPK10 (0.84) MAPK10MAPK9MAPK8CYP1A2CYP2C9
SCHEMBL4020743 0.78 MAPK10 (0.81) MAPK10MAPK9MAPK8ALOX5ILK
SCHEMBL2886417 0.78 MAPK10 (0.81) MAPK10MAPK9MAPK8ALOX5MEN1

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