SCHEMBL8943018

SCHEMBL8943018

COc1nc(OC)nc(SC(C(=O)O)C(C)(C)OC)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.31
EDNRB P24530 3/20 0.30
EDNRA P25101 3/20 0.30

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
SCHEMBL9588704 0.83 EDNRB (0.41) KDM4EEDNRBEDNRA
SCHEMBL9367575 0.78 EDNRB (0.40) POLBEDNRBEDNRA
SCHEMBL9050654 0.67 EDNRB (0.39) LMNAKDM4EEDNRBEDNRA
SCHEMBL9051577 0.66 EDNRB (0.40) LMNAKDM4EEDNRBEDNRA
SCHEMBL9367576 0.66 EDNRB (0.46) POLBEDNRBEDNRA
SCHEMBL9052951 0.65 EDNRB (0.39) LMNAKDM4EEDNRBEDNRA
SCHEMBL8943528 0.62 EDNRB (0.50) POLBEDNRBEDNRA
SCHEMBL23964443 0.60 ELANE (0.41) LMNATDP1POLB
SCHEMBL33145 0.60 ALDH1A1 (0.43) LMNATDP1
SCHEMBL9119578 0.59 EDNRB (0.65) POLBEDNRBEDNRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP claimed
US-5529977-A A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 1996-06-25 US disclosed
US-5387575-A Pyrimidine derivatives, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1995-02-07 US disclosed
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP disclosed