SCHEMBL4737628

SCHEMBL4737628

O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
TBK1 Q9UHD2 6/20 0.64
CDC7 O00311 5/20 0.59
DBF4 Q9UBU7 5/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
IKBKE Q14164 5/20 0.53
PARP1 P09874 1/20 0.52
HTT P42858 2/20 0.51
POLB P06746 1/20 0.50
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
NTRK1 P04629 1/20 0.48

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
SCHEMBL4738310 0.92 ALDH1A1 (0.71) KDM4EALDH1A1MAPTTBK1CDC7
SCHEMBL4737632 0.86 KDM4E (0.62) KDM4EALDH1A1MAPTTBK1CDC7
SCHEMBL4737623 0.86 KDM4E (0.60) KDM4EALDH1A1MAPTTBK1CDC7
SCHEMBL4737640 0.85 KDM4E (0.63) KDM4EALDH1A1MAPTTBK1HTT
SCHEMBL4741747 0.82 MEN1 (0.65) KDM4EALDH1A1MAPT
SCHEMBL4268936 0.81 KDM4E (0.77) KDM4EALDH1A1MAPTCDC7DBF4
SCHEMBL14148402 0.80 KDM4E (0.61) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL14148384 0.79 KDM4E (0.73) KDM4EALDH1A1MAPTTBK1CDC7
SCHEMBL14059194 0.78 TBK1 (1.00) TBK1IKBKE
SCHEMBL14148405 0.77 ALDH1A1 (0.67) KDM4EALDH1A1MAPTPOLBSMN1; SMN2

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
WO-2008090382-A1 THIAZOLE AND OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PRION DISEASES, CANCER AND CONDITIONS OF THE CENTRAL NERVOUS SYSTEM AS WELL AS IN THE REGULATION OF STEM CELLS THE UNIVERSITY OF SHEFFIELD (GB) 2008-07-31 WO disclosed
WO-2008090382-A1 THIAZOLE AND OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PRION DISEASES, CANCER AND CONDITIONS OF THE CENTRAL NERVOUS SYSTEM AS WELL AS IN THE REGULATION OF STEM CELLS THE UNIVERSITY OF SHEFFIELD (GB) 2008-07-31 WO disclosed