SCHEMBL6971403

SCHEMBL6971403

CNC(=O)c1cccc2nnsc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
NPSR1 Q6W5P4 1/20 0.44
PLK1 P53350 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C9 P11712 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL4031502 0.84 GAA (0.44) THRBGAAMAPTTP53SMN1; SMN2
SCHEMBL6971401 0.84 MAPT (0.39) THRBMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL8038913 0.83 MAPT (0.40) THRBMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL8051642 0.81 MAPT (0.45) THRBMAPTTP53SMN1; SMN2PDE10A
SCHEMBL543646 0.81 MAPT (0.49) GAAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL9087580 0.80 LMNA (0.51) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9385271 0.80 EGLN1 (0.42) THRBMAPTTP53SMN1; SMN2ALDH1A1
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.80 ALDH1A1 (0.44) NPSR1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL7555956 0.78 MAPT (0.39) THRBMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL3743974 0.78 PARP1 (0.40) GAAMAPTTP53SMN1; SMN2PDE10A

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed