SCHEMBL7645366

SCHEMBL7645366

O=C1NCNN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALOX12 P18054 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.40
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL9022967 0.77 L3MBTL1 (0.50) GAAMEN1KMT2AMAPTALOX5
SCHEMBL6248177 0.71 DDB1 (0.47) GAAMEN1KMT2AALOX12MAPT
SCHEMBL6735952 0.68 NPC1 (0.40) GAAMEN1KMT2AALOX12MAPT
SCHEMBL9193147 0.68 ALOX5 (0.46) GAAMEN1KMT2AALOX12MAPT
SCHEMBL5668872 0.68 GAA (0.43) GAAMEN1KMT2AALOX12MAPT
SCHEMBL8097128 0.67 GAA (0.42) GAAMEN1KMT2AALOX12MAPT
SCHEMBL9597146 0.64 ALDH1A1 (0.39) GAAMEN1KMT2AALOX12MAPT
SCHEMBL6930626 0.64 GAA (0.40) GAAMEN1KMT2AALOX12MAPT
SCHEMBL11048264 0.64 GAA (0.47) GAAMEN1KMT2AALOX12MAPT
SCHEMBL11781417 0.64 GAA (0.43) GAAMEN1KMT2AALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444613-B1 EFFECTING LEAF ABSCISSION IN PLANTS BY TREATING PLANTS WITH SYNERGISTIC MIXTURE COMPRISING THIDIAZURON OR THIDIAZURON AND DIURON AND ONE OR MORE PROTOPORPHYRINOGEN OXIDASE INHIBITORS HOECHST SCHERING AGREVO GMBH (DE) 2002-09-03 US disclosed