SCHEMBL17604649

SCHEMBL17604649

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 8/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
OGG1 O15527 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
NSD2 O96028 1/20 0.34
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL17604678 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL17604681 0.71 MAPT (0.39) MPOCYP3A4BLMKDM5AGFER
SCHEMBL16035496 0.65 KDM4E (0.41) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL6581336 0.65 KDM4E (0.67) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL133893 0.65 NPC1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL31019604 0.65 NPC1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL17604604 0.65 MPO (0.39) MPOCYP3A4BLMKDM5AGFER
SCHEMBL18101216 0.65 KDM4E (0.64) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL18101256 0.65 KDM4E (0.64) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL18101254 0.65 KDM4E (0.64) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1

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-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