SCHEMBL20187409

SCHEMBL20187409

CCS(=O)(=O)c1ccc(-n2cncn2)nc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
COMT P21964 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL18357845 0.90 MAPT (0.36) MAPTKDM4EHTTHSP90AA1SMN1; SMN2
SCHEMBL20610202 0.89 MAPT (0.35) MAPTKDM4EHTTHSP90AA1SMN1; SMN2
SCHEMBL23302278 0.80 MAPT (0.35) MAPTKDM4EHTTHSP90AA1SMN1; SMN2
SCHEMBL23302393 0.80 PDE10A (0.36) MAPTKDM4EHTTHSP90AA1SMN1; SMN2
SCHEMBL20610216 0.76 KDM4E (0.41) MAPTKDM4EHTTSMN1; SMN2POLB
SCHEMBL20209413 0.75 MAPT (0.36) MAPTKDM4EHTTHSP90AA1SMN1; SMN2
SCHEMBL23302327 0.75 MAPT (0.33) MAPTKDM4EPOLBCOMT
SCHEMBL24212637 0.75 KDM4E (0.38) MAPTKDM4EHTTHSP90AA1SMN1; SMN2
SCHEMBL20610182 0.74 KDM4E (0.31) MAPTKDM4E
SCHEMBL20385117 0.72 SMN1; SMN2 (0.42) MAPTKDM4EHTTSMN1; SMN2POLB

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
WO-2018095795-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-31 WO disclosed
WO-2018095795-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-31 WO disclosed