SCHEMBL27640310

SCHEMBL27640310

O=CC1NN=CN1c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 6/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL27389183 0.74 NOTUM (0.33) MGLLADRB1ALOX5ALDH1A1KDM4E
SCHEMBL27350580 0.72 MGLL (0.35) HCAR1MGLLADRB1ALOX5ALDH1A1
SCHEMBL27360640 0.70 CHRNB4 (0.41) —
SCHEMBL27640352 0.69 MGLL (0.39) HCAR1MGLLADRB1ALOX5ALDH1A1
SCHEMBL2323800 0.60 ADRB1 (0.55) ADRB1ALDH1A1KDM4E
SCHEMBL28396664 0.58 ADRB1 (0.71) ADRB1ALDH1A1KDM4E
SCHEMBL22326768 0.57 ADRB1 (0.37) HCAR1MGLLADRB1ALOX5ALDH1A1
SCHEMBL12528588 0.56 BCHE (0.38) MGLLADRB1ALDH1A1NOTUMGAA
SCHEMBL24034719 0.56 MGLL (0.62) MGLLADRB1ALOX5ALDH1A1KDM4E
SCHEMBL11251821 0.55 MGLL (0.50) HCAR1MGLLADRB1ALOX5ALDH1A1

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
CN-100522952-C Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2009-08-05 — — CN disclosed
CN-1759105-A Phthalamide derivatives having insecticidal activity BAYER CROPSCIENCE AG (DE) 2006-04-12 — — CN disclosed
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