SCHEMBL9702466

SCHEMBL9702466

COc1cc(OC)nc(C(S)C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.44
EDNRB P24530 7/20 0.42
EDNRA P25101 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9461243 0.79 KDM4E (0.48) LMNATDP1KDM4EALDH1A1CYP1A2
SCHEMBL9135284 0.76 AKR1C3 (0.49) LMNATDP1KDM4EALDH1A1CYP1A2
SCHEMBL10393964 0.75 KDM4E (0.47) LMNAKDM4EALDH1A1EDNRBEDNRA
SCHEMBL9019961 0.73 EDNRB (0.42) LMNATDP1KDM4EALDH1A1CYP1A2
SCHEMBL9879365 0.73 EDNRB (0.48) KDM4EALDH1A1EDNRBEDNRASMN1; SMN2
SCHEMBL1759827 0.71 TDP1 (0.62) LMNATDP1KDM4EALDH1A1CYP1A2
SCHEMBL9131622 0.71 KDM4E (0.41) LMNATDP1KDM4EALDH1A1CYP1A2
SCHEMBL3405403 0.70 KDM4E (0.55) LMNATDP1KDM4EALDH1A1CYP1A2
SCHEMBL9132663 0.69 CPB2 (0.39) LMNATDP1KDM4EALDH1A1CYP1A2
SCHEMBL29002093 0.69 AKR1C3 (0.54) LMNATDP1KDM4EALDH1A1CYP1A2

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