SCHEMBL4740897

SCHEMBL4740897

O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
NTRK1 P04629 4/20 0.52
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PTPRC P08575 1/20 0.44
PTGS1 P23219 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43

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
SCHEMBL4737623 0.81 KDM4E (0.60) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL14148405 0.81 ALDH1A1 (0.67) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL14148528 0.79 KDM4E (0.68) KDM4EALDH1A1MAPTNTRK1TP53
SCHEMBL4738310 0.79 ALDH1A1 (0.71) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL4740896 0.78 LMNA (0.56) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL4268936 0.77 KDM4E (0.77) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL4737640 0.76 KDM4E (0.63) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL14148566 0.76 ALDH1A1 (0.59) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL14148384 0.74 KDM4E (0.73) KDM4EALDH1A1MAPTNTRK1GAA
SCHEMBL4737628 0.74 KDM4E (0.64) KDM4EALDH1A1MAPTNTRK1TP53

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-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