SCHEMBL5772385

SCHEMBL5772385

COC(=O)Oc1cc(N)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 4/20 0.31
HCAR2 Q8TDS4 1/20 0.31
JAK2 O60674 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CSNK2A2 P19784 1/20 0.30
KDR P35968 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
ALPL P05186 1/20 0.30
POLB P06746 1/20 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
SCHEMBL4420770 0.81 POLB (0.35) MAPK1TSHRKDM4EMAPTALDH1A1
SCHEMBL16175514 0.81 ELANE (0.39) ALDH1A1LMNA
SCHEMBL16175381 0.80 ADORA3 (0.38) MAPK1CYP1A2HPGDALDH1A1SMN1; SMN2
SCHEMBL7765129 0.80 HCAR2 (0.44) MAPK1MAPTLMNAGAAHCAR2
SCHEMBL3889384 0.79 ALPL (0.32) HCAR2ALPL
SCHEMBL19459603 0.79 MEN1 (0.36) MEN1KMT2A
SCHEMBL27624670 0.77 ACHE (0.37) MAPK1KDM4EHPGDHSD17B10MAPT
SCHEMBL8521461 0.77 MAPK1 (0.35) MAPK1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL28311827 0.77 JAK2 (0.36) TSHRCYP1A2GAAJAK2ALPL
SCHEMBL1493331 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed