SCHEMBL17604681

SCHEMBL17604681

NNC(=O)c1ccc2c(c1)N=COB2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MPO P05164 2/20 0.39
CYP3A4 P08684 2/20 0.39
BLM P54132 2/20 0.39
KDM5A P29375 1/20 0.39
GFER P55789 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
OGG1 O15527 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL17604649 0.71 MPO (0.39) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL17604604 0.68 MPO (0.39) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL17604669 0.65 MPO (0.39) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL2678949 0.64 MPO (0.80) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL343630 0.64 MPO (0.80) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL17604678 0.64 KDM4E (0.46) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL808434 0.64 MPO (0.58) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL17604679 0.63 MPO (0.43) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL28188923 0.62 MPO (0.76) MAPTMPOCYP3A4BLMKDM5A
SCHEMBL1904111 0.62 ALDH1A1 (0.70) MAPTMPOCYP3A4BLMKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194359-A1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS Intrexon Corporation (US) 2017-07-26 EP claimed
WO-2016044390-A1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORPORATION (US) 2016-03-24 WO claimed
EP-3194359-A1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS Intrexon Corporation (US) 2017-07-26 EP disclosed
WO-2016044390-A1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORPORATION (US) 2016-03-24 WO disclosed