SCHEMBL15539282

SCHEMBL15539282

c1cnc2c(c1)SCCS2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 2/20 0.35
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
SHMT2 P34897 2/20 0.31
RYR2 Q92736 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL31001735 1.00 ALDH1A1 (0.36) ALDH1A1GAAMEN1KMT2AALOX15
SCHEMBL1552913 0.71
SCHEMBL674245 0.71
SCHEMBL29804989 0.71
SCHEMBL2825005 0.70 ALDH1A1 (0.34) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL31001736 0.68 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2AALOX15
SCHEMBL255970 0.68 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2AALOX15
SCHEMBL4014164 0.68 SHMT2 (0.40) SHMT2TSHR
SCHEMBL5757843 0.68 ALDH1A1 (0.50) ALDH1A1GAAMEN1KMT2AALOX15
SCHEMBL2511410 0.68 HPGD (0.40) ALDH1A1GAAMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016128470-A1 HERBICIDE-RESISTANT HYDROXYPHENYLPYRUVATE DIOXYGENASES BASF SE (DE) 2016-08-18 WO disclosed
EP-3004117-A1 SUBSTITUTED PYRIDINE COMPOUNDS HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2016-04-13 EP disclosed
EP-2855485-A1 SUBSTITUTED PYRIDINE COMPOUNDS HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2015-04-08 EP disclosed
WO-2014097085-A1 HERBICIDE-METABOLIZING CYTOCHROME P450 MONOOXYGENASES BASF SE (DE) 2014-06-26 WO disclosed
WO-2013178585-A1 SUBSTITUTED PYRIDINE COMPOUNDS HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2013-12-05 WO disclosed