SCHEMBL4737632

SCHEMBL4737632

O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 4/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 2/20 0.60
TBK1 Q9UHD2 1/20 0.54
SCD O00767 1/20 0.51
HDAC1 Q13547 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
KCNK3 O14649 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
TMIGD3 P0DMS9 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
CDC7 O00311 2/20 0.49
DBF4 Q9UBU7 2/20 0.49
HIF1A Q16665 1/20 0.49
HPGD P15428 1/20 0.48
NPC1 O15118 2/20 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 0.88 ALDH1A1 (0.71) KDM4EALDH1A1POLBMAPTTBK1
SCHEMBL4737628 0.86 KDM4E (0.64) KDM4EALDH1A1POLBMAPTTBK1
SCHEMBL728978 0.81 RAB9A (0.44) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL4737640 0.80 KDM4E (0.63) KDM4EALDH1A1POLBMAPTTBK1
SCHEMBL14148402 0.79 KDM4E (0.61) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL4268936 0.78 KDM4E (0.77) KDM4EALDH1A1POLBMAPTCDC7
SCHEMBL4737623 0.78 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTTBK1
SCHEMBL2303661 0.77 ALDH1A1 (1.00) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL4741747 0.77 MEN1 (0.65) KDM4EALDH1A1MAPTADORA3ADORA2A
SCHEMBL4740896 0.76 LMNA (0.56) KDM4EALDH1A1LMNAPOLBMAPT

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