SCHEMBL16908633

SCHEMBL16908633

COC(=O)N(C)N(C)C(=O)c1cc(Br)cc(Br)c1NC(=O)c1c(Br)cnn1-c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 6/20 0.34
▸ DHODH Q02127 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GCK P35557 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL29360347 0.85 DHODH (0.40) MALT1DHODHLRRK2
SCHEMBL13335092 0.85 DHODH (0.35) MALT1DHODHLRRK2
SCHEMBL29458550 0.85 DHODH (0.40) MALT1DHODHLRRK2
SCHEMBL123506 0.85 DHODH (0.40) MALT1DHODHLRRK2
SCHEMBL13318643 0.83 MALT1 (0.33) MALT1DHODHLRRK2
SCHEMBL30674784 0.80 DHODH (0.37) MALT1DHODH
SCHEMBL31628519 0.77 DHODH (0.38) MALT1DHODHLRRK2
SCHEMBL326444 0.77 DHODH (0.38) MALT1DHODHLRRK2
SCHEMBL14961243 0.77 MALT1 (0.36) MALT1DHODH
SCHEMBL17750084 0.77 DHODH (0.39) MALT1DHODH

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
EP-2459569-B1 INSECTICIDAL 4-AMINO-THIENO[2,3-D]-PYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE MERIAL INC (US) 2015-07-22 — — EP disclosed
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