SCHEMBL5592033

SCHEMBL5592033

COC(=N)c1cc(C(=O)O)n(-c2ncccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 7/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ DHODH Q02127 2/20 0.37
▸ GCK P35557 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPA1 O75762 2/20 0.35

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
SCHEMBL384656 0.85 KMT2A (0.43) MALT1MEN1KMT2A
SCHEMBL27917418 0.84 KMT2A (0.38) MALT1ALDH1A1MEN1KMT2ATRPA1
SCHEMBL45318 0.83 KMT2A (0.41) MALT1RBP4ALDH1A1MEN1KMT2A
SCHEMBL2586280 0.81 MALT1 (0.40) MALT1RBP4DHODHTRPA1
Fluoride SCHEMBL27807875 0.81 MALT1 (0.39) MALT1RBP4DHODHTRPA1
SCHEMBL384694 0.80 ALDH1A1 (0.45) MALT1RBP4ALDH1A1MEN1KMT2A
SCHEMBL950148 0.80 ALDH1A1 (0.43) MALT1ALDH1A1DHODHMEN1KMT2A
SCHEMBL958268 0.79 MALT1 (0.40) MALT1ALDH1A1TRPA1
SCHEMBL29558300 0.79 MALT1 (0.40) MALT1ALDH1A1TRPA1
SCHEMBL25008759 0.79 SLC16A3 (0.44) —

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
WO-2006000336-A9 ANTHRANILAMIDES SERVING AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-02-01 — — WO disclosed
WO-2006000336-A2 ANTHRANILAMIDES SERVING AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2006-01-05 — — WO disclosed
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