SCHEMBL7684832

SCHEMBL7684832

Cc1ccccc1OCc1ccccc1/C(=N\O)C1=NOCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.37
▸ SGMS2 Q8NHU3 2/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL7684837 1.00 NISCH (0.37) NISCHSGMS2CDK4CCND1TRPM8
SCHEMBL6278806 0.89 NISCH (0.36) NISCHSGMS2CDK4CCND1TRPM8
SCHEMBL6278805 0.89 NISCH (0.36) NISCHSGMS2CDK4CCND1TRPM8
SCHEMBL8346622 0.82 SGMS2 (0.40) NISCHSGMS2CDK4CCND1TRPM8
SCHEMBL8347576 0.80 L3MBTL1 (0.38) RAB9ANPC1MAPTTSHRMAPK1
SCHEMBL7669311 0.74 SGMS2 (0.35) NISCHSGMS2CDK4CCND1TRPM8
SCHEMBL6965497 0.73 NISCH (0.39) NISCHSGMS2CDK4CCND1TRPM8
SCHEMBL6961704 0.72 TDP1 (0.36) SGMS2CDK4CCND1RAB9ANPC1
SCHEMBL6763809 0.72 MGLL (0.33) NPC1MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL6763805 0.72 MGLL (0.33) NPC1MAPTTSHRSMN1; SMN2ALDH1A1

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
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