SCHEMBL902720

SCHEMBL902720

CC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.46
▸ MALT1 Q9UDY8 3/20 0.39
▸ TRPV1 Q8NER1 3/20 0.36
▸ PSD A5PKW4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34

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
SCHEMBL28836651 0.93 DHODH (0.45) DHODHMALT1MEN1KMT2A
SCHEMBL28867325 0.93 DHODH (0.45) DHODHMALT1TRPV1PSDMEN1
SCHEMBL30473348 0.93 DHODH (0.45) DHODHMALT1MEN1KMT2A
Chlorantraniliprole SCHEMBL29363261 0.93 DHODH (0.44) DHODHMALT1TRPV1PSDNPC1
SCHEMBL29377193 0.93 DHODH (0.44) DHODHMALT1TRPV1PSDRAB9A
SCHEMBL15984455 0.93 DHODH (0.44) DHODHMALT1TRPV1PSDRAB9A
SCHEMBL31060097 0.93 DHODH (0.44) DHODHMALT1TRPV1PSDRAB9A
SCHEMBL2396923 0.93 DHODH (0.44) DHODHMALT1TRPV1PSDMEN1
Chlorantraniliprole SCHEMBL29551 0.93 DHODH (0.44) DHODHMALT1TRPV1PSDNPC1
SCHEMBL12574921 0.92 DHODH (0.43) DHODHMALT1TRPV1PSDMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013011010-A1 FUNGIZIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-24 — — WO disclosed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 — — WO disclosed
WO-2012041874-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-04-05 — — WO disclosed
WO-2007009661-A2 PESTICIDAL MIXTURES CONTAINING BICYCLIC ANTHRANILAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 — — WO disclosed
WO-2007009775-A2 FUNGICIDAL COMPOSITIONS COMPRISING TEBUCONAZOLE SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 — — WO disclosed
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