SCHEMBL20187481

SCHEMBL20187481

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
COMT P21964 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL18357845 0.86 MAPT (0.36) MAPTKDM4EHTTPOLBHSP90AA1
SCHEMBL20187409 0.86 MAPT (0.36) MAPTKDM4EHTTPOLBHSP90AA1
SCHEMBL20610202 0.85 MAPT (0.35) MAPTKDM4EHTTPOLBHSP90AA1
SCHEMBL20377266 0.83 CYP1A2 (0.41) MAPTKDM4EHTTPOLBHSP90AA1
SCHEMBL23302393 0.77 PDE10A (0.36) MAPTKDM4EHTTPOLBHSP90AA1
SCHEMBL23302278 0.77 MAPT (0.35) MAPTKDM4EHTTPOLBHSP90AA1
SCHEMBL20209382 0.77 MAPT (0.33) MAPTKDM4EHTTPOLBHSP90AA1
SCHEMBL20610216 0.75 KDM4E (0.41) MAPTKDM4EHTTPOLBSMN1; SMN2
SCHEMBL20610182 0.73 KDM4E (0.31) MAPTKDM4E
SCHEMBL30573222 0.72 KMT2A (0.36) MAPTKDM4EHTTSMN1; SMN2COMT

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