SCHEMBL7758207

SCHEMBL7758207

COc1ccc(C=O)c(-c2sc(Nc3ccccc3)nc2N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.57
KMT2A Q03164 10/20 0.57
MAPT P10636 9/20 0.57
NPC1 O15118 9/20 0.57
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
CDK5 Q00535 5/20 0.54
CDK5R1 Q15078 5/20 0.54
LMNA P02545 3/20 0.54
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7118335 0.89 MEN1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1248421 0.82 CCNA2 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1250063 0.74 MAPT (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1249747 0.74 MAPT (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7757594 0.73 MAPT (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7757019 0.73 MAPT (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1248186 0.72 MAPT (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1250757 0.72 MAPT (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1250520 0.71 MAPT (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1250879 0.71 CDK5 (0.54) MEN1KMT2AMAPTNPC1RAB9A

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