SCHEMBL7682424

SCHEMBL7682424

C/C(=N\O)c1nn(C(F)F)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR4 Q13639 8/20 0.36
KMT2A Q03164 1/20 0.35
HTR3A P46098 2/20 0.33
ELANE P08246 2/20 0.33
CASP3 P42574 1/20 0.33
GFER P55789 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7682428 1.00 KDM4E (0.39) KDM4ELMNAMAPTALDH1A1NPC1
SCHEMBL7680760 0.81 HTR4 (0.42) KDM4EALDH1A1HTR4KMT2AHTR3A
SCHEMBL16255877 0.78 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1NPC1
SCHEMBL7685070 0.78 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1NPC1
SCHEMBL7685072 0.78 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1NPC1
SCHEMBL28253854 0.75 ELANE (0.55) KDM4EHTR4KMT2AELANE
SCHEMBL28568174 0.75 ELANE (0.58) KDM4EMAPTHTR4KMT2AHTR3A
SCHEMBL15560171 0.72 KDM4E (0.46) KDM4EALDH1A1HTR4KMT2AHTR3A
SCHEMBL26860769 0.71 KDM4E (0.38) KDM4ELMNAMAPTALDH1A1NPC1
SCHEMBL30881674 0.68 KDM4E (0.37) KDM4EMAPTALDH1A1NPC1HPGD

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-6462039-B1 SUCH AS O-(2-((5,6-DIHYDRO-(1,4,2)DIOXAZIN-3-YL)-METHOXY-IMINOMETHYL)-BENZYL)1-(1 -METHYL-1H-INDAZOL-3-YL)ETHANONEOXIME; WELL TOLERATED BY PLANTS; CONTROLLING PLANT DISEASES BY TREATMENT OF AERIAL PARTS, SEEDS OR SOIL BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed