SCHEMBL7757019

SCHEMBL7757019

Nc1nc(Nc2ccccc2)sc1-c1c(C=O)ccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 4/20 0.48
PSMD14 O00487 1/20 0.48
CCNA2 P20248 6/20 0.43
CDK2 P24941 6/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
CDK5 Q00535 4/20 0.43
CDK5R1 Q15078 4/20 0.43
GSK3B P49841 2/20 0.43
GSK3A P49840 1/20 0.43
MAPK14 Q16539 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1250063 0.83 MAPT (0.44) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL1248421 0.79 CCNA2 (0.49) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL1249747 0.76 MAPT (0.46) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL7757594 0.75 MAPT (0.45) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL1248186 0.74 MAPT (0.45) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL7758207 0.73 MEN1 (0.57) MAPTMEN1KMT2ALMNACCNA2
SCHEMBL7756995 0.71 MAPT (0.68) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL1250757 0.71 MAPT (0.52) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL1248135 0.70 MAPT (0.45) MAPTMEN1KMT2ALMNAPSMD14
SCHEMBL7753475 0.69 CDK2 (0.46) MAPTMEN1KMT2ALMNAPSMD14

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
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 WO disclosed