SCHEMBL14284668

SCHEMBL14284668

O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1nc(Br)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.49
▸ TLR8 Q9NR97 4/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ P2RX1 P51575 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ TMPRSS4 Q9NRS4 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ TNNI3K Q59H18 1/20 0.45
▸ USP36 Q9P275 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ PTGS1 P23219 1/20 0.43

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
SCHEMBL14284648 0.89 USP36 (0.49) TLR8TLR7P2RX1NPC1RAB9A
SCHEMBL14284658 0.89 TLR8 (0.56) TLR8TLR7RAB9AMAPTBRAF
SCHEMBL14284646 0.83 MAPT (0.44) SMN1; SMN2MAPTPTGS1
SCHEMBL14284654 0.83 PIN1 (0.45) RAB9A
SCHEMBL14284650 0.81 GAA (0.49) TLR8TLR7P2RX1P2RX4P2RX7
SCHEMBL14284358 0.81 TLR7 (0.62) TRPV1TLR7NPC1RAB9AMAPT
SCHEMBL13503254 0.74 TRPV1 (0.47) TRPV1TLR8SMN1; SMN2NPC1RAB9A
SCHEMBL2237973 0.74 MAPT (0.51) TRPV1TLR8NPC1RAB9AMAPT
SCHEMBL16586318 0.74 AHR (0.50) TRPV1TLR8TLR7SMN1; SMN2NPC1
SCHEMBL16585956 0.72 MAPT (0.49) TRPV1SMN1; SMN2NPC1RAB9AMAPT

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
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 — — US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 — — US disclosed
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