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SCHEMBL13003161

SCHEMBL13003161

Cc1cc(N)cc(C(=O)NC(C)C)c1NC(=O)C1CC(C(F)(F)F)=NN1c1ncccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 10/20 0.37
▸ TRPV1 Q8NER1 3/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 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
SCHEMBL9290245 0.92 MALT1 (0.40) MALT1TRPV1RBP4
SCHEMBL9290200 0.92 MALT1 (0.39) MALT1TRPV1RBP4P2RX7
SCHEMBL13356332 0.91 MALT1 (0.37) MALT1TRPV1RBP4PDE4APDE4B
SCHEMBL12295362 0.91 MALT1 (0.37) MALT1TRPV1RBP4PDE4A
SCHEMBL13287906 0.90 MALT1 (0.40) MALT1P2RX7PPARD
SCHEMBL9289044 0.90 MALT1 (0.36) MALT1TRPV1RBP4
SCHEMBL9289054 0.89 MALT1 (0.39) MALT1PPARDPDE4A
SCHEMBL9289364 0.88 MALT1 (0.36) MALT1TRPV1RBP4
SCHEMBL9290237 0.83 MALT1 (0.41) MALT1TRPV1RBP4
SCHEMBL9289370 0.83 MALT1 (0.39) MALT1TRPV1RBP4P2RX7PPARD

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
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 — — WO disclosed