SCHEMBL9752191

SCHEMBL9752191

CC(=O)Nc1nc2c(ncn2[C@H]2C=CC(COC(C)=O)C2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
ABCB1 P08183 5/20 0.47
BCHE P06276 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADCY5 O95622 6/20 0.38
NR1I2 O75469 1/20 0.38
ALB P02768 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL9752192 1.00 MEN1 (0.54) MEN1KMT2ATSHRTAS1R3TAS1R1
SCHEMBL9630792 0.85 BCHE (0.55) ABCB1BCHE
SCHEMBL9630796 0.85 BCHE (0.55) ABCB1BCHE
SCHEMBL9752711 0.80 ABCB1 (0.52) ABCB1ADCY5NR1I2ALBPDE4D
SCHEMBL9752713 0.80 ABCB1 (0.52) ABCB1ADCY5NR1I2ALBPDE4D
SCHEMBL9517627 0.78 KDM4E (0.57) MEN1KMT2ATSHRTAS1R3TAS1R1
SCHEMBL9517623 0.78 KDM4E (0.57) MEN1KMT2ATSHRTAS1R3TAS1R1
SCHEMBL19325459 0.78 TAS1R3 (0.56) MEN1KMT2ATSHRTAS1R3TAS1R1
SCHEMBL6560800 0.78 TAS1R3 (0.56) MEN1KMT2ATSHRTAS1R3TAS1R1
SCHEMBL2027278 0.77 TAS1R3 (0.80) MEN1KMT2ATSHRTAS1R3TAS1R1

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-1991001318-A1 SYNTHESIS OF CYCLOPENTENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-02-07 WO disclosed