SCHEMBL3682902

SCHEMBL3682902

COc1ccc(I)cc1C1=C(C)[N]N=C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.32
▸ GAK O14976 2/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ COQ8A Q8NI60 1/20 0.32
▸ NLK Q9UBE8 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ APP P05067 1/20 0.31
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30

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
SCHEMBL4623400 0.81 CETP (0.31) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL3690076 0.70 ACHE (0.43) ACHEALDH1A1KDM4EMAPTHPGD
SCHEMBL22044266 0.67 MAPT (0.41) GAKALDH1A1KDM4EMAPTHPGD
SCHEMBL3539341 0.67 ACHE (0.44) ACHEALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL470124 0.66 CA2 (0.54) ACHEALDH1A1KDM4ETSHRAPP
SCHEMBL31277237 0.66 CA2 (0.54) ACHEALDH1A1KDM4ETSHRAPP
SCHEMBL4623256 0.66 HPGD (0.44) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL629513 0.65 MAPT (0.46) ALDH1A1MAPT
SCHEMBL29426958 0.65 MAPT (0.46) ALDH1A1MAPT
SCHEMBL482383 0.64 CA2 (0.41) ACHEALDH1A1TSHRAPPCYP3A4

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
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 — — EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 — — WO disclosed
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