SCHEMBL3361891

SCHEMBL3361891

COc1ccc(CNC(N)=O)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.63
ALDH1A1 P00352 3/20 0.57
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 2/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.54
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL18415441 0.87 TAS1R3 (0.67) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL2261220 0.86 APLNR (0.65) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL10141758 0.86 APLNR (0.65) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL22854464 0.84 APLNR (0.63) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL2226834 0.84 APLNR (0.63) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL20303137 0.84 APLNR (0.63) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL15682813 0.84 TAS1R3 (0.60) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL4259873 0.83 APLNR (0.61) APLNRALDH1A1TAS1R3TAS1R1TSHR
Hydrochloric Acid SCHEMBL22832267 0.83 APLNR (0.61) APLNRALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL14521439 0.83 APLNR (0.61) APLNRALDH1A1TAS1R3TAS1R1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185534-A Preparation and application of 2, 4-dimethoxy benzyl urea compound 济南大学 2021-07-30 CN claimed
CN-105503635-B A kind of preparation method of the Dicarbonyl derivatives of 2 amido formacyl 1,3 苏州大学 2017-10-10 CN claimed
CN-113185534-A Preparation and application of 2, 4-dimethoxy benzyl urea compound 济南大学 2021-07-30 CN disclosed
CN-104781256-A 3,4-disubstituted oxazolidinone derivatives and their use as inhibitors of the calcium activated potassium channel HOFFMANN LA ROCHE 2015-07-15 CN disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed