SCHEMBL9701160

SCHEMBL9701160

COc1cc(OC)nc(C(C(=O)O)C(C)(C#N)CS)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.36
EDNRA P25101 14/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.33
NSD2 O96028 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9407606 0.73 EDNRB (0.40) EDNRBEDNRAKDM4EALDH1A1CYP1A2
SCHEMBL9701288 0.70 POLB (0.39) EDNRBEDNRAKDM4EALDH1A1CYP1A2
SCHEMBL9702466 0.68 LMNA (0.47) EDNRBEDNRAKDM4EALDH1A1CYP1A2
SCHEMBL9367315 0.67 EDNRB (0.59) EDNRBEDNRALMNATDP1
SCHEMBL9461243 0.66 KDM4E (0.48) EDNRBEDNRAKDM4EALDH1A1CYP1A2
SCHEMBL8943529 0.66 EDNRB (0.37) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL9902726 0.65 CYP1A2 (0.36) EDNRBEDNRAKDM4EALDH1A1CYP1A2
SCHEMBL8113644 0.64 EDNRB (0.54) EDNRBEDNRA
SCHEMBL9135284 0.64 AKR1C3 (0.49) EDNRBEDNRAKDM4EALDH1A1CYP1A2
SCHEMBL9297450 0.63 CYP1A2 (0.33) EDNRBEDNRAKDM4EALDH1A1CYP1A2

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
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