SCHEMBL4740896

SCHEMBL4740896

O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 5/20 0.55
KDM4E B2RXH2 3/20 0.55
NTRK1 P04629 1/20 0.54
KCNK3 O14649 1/20 0.54
ADCY1 Q08828 1/20 0.54
P2RX1 P51575 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PTGS1 P23219 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA3 P0DMS8 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
SCHEMBL4737623 0.88 KDM4E (0.60) LMNAALDH1A1MAPTKDM4ENTRK1
SCHEMBL4738310 0.84 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ENTRK1NPC1
SCHEMBL14148402 0.82 KDM4E (0.61) LMNAALDH1A1MAPTKDM4EKCNK3
SCHEMBL4737640 0.78 KDM4E (0.63) ALDH1A1MAPTKDM4ENTRK1NPC1
SCHEMBL14148566 0.78 ALDH1A1 (0.59) LMNAALDH1A1MAPTKDM4ENTRK1
SCHEMBL6248559 0.78 KDR (0.71) LMNAALDH1A1MAPTKCNK3ADCY1
SCHEMBL4740897 0.78 KDM4E (0.59) LMNAALDH1A1MAPTKDM4ENTRK1
SCHEMBL4737628 0.77 KDM4E (0.64) ALDH1A1MAPTKDM4ENTRK1SMN1; SMN2
SCHEMBL14148528 0.76 KDM4E (0.68) ALDH1A1MAPTKDM4ENTRK1NPC1
SCHEMBL4737632 0.76 KDM4E (0.62) LMNAALDH1A1MAPTKDM4EKCNK3

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