SCHEMBL29549833

SCHEMBL29549833

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1SC(F)(F)F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNK2 O95069 5/20 0.43
▸ KCNK10 P57789 4/20 0.43
▸ P2RX1 P51575 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KCNJ11 Q14654 2/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL20839525 0.82 HTR1F (0.42) KCNK2KCNK10NPC1RAB9ALMNA
SCHEMBL29549701 0.81 HDAC1 (0.48) P2RX1NPC1RAB9AKCNJ11KCNK3
SCHEMBL12348588 0.80 KCNK3 (0.57) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL29550296 0.79 PTGS1 (0.38) KCNK2KCNK10P2RX1NPC1RAB9A
SCHEMBL4187134 0.79 KCNK3 (0.49) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL28395430 0.79 PTGS1 (0.38) KCNK2KCNK10P2RX1NPC1RAB9A
SCHEMBL13516042 0.79 KCNJ11 (0.34) KCNK2KCNK10KCNJ11RXFP1
SCHEMBL20839522 0.78 RXFP1 (0.37) KCNK2KCNK10RXFP1
SCHEMBL29550438 0.78 P2RX1 (0.41) P2RX1NPC1RAB9AKCNJ11KCNK3
SCHEMBL20840686 0.77 P2RX1 (0.41) P2RX1LMNAMAPT

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
CN-114591232-A Long-acting control agent for ectoparasites of animals 三井化学AGRO株式会社 2022-06-07 — — CN disclosed
CN-111132549-B Long-acting control agent for ectoparasites of animals 三井化学AGRO株式会社 2022-04-12 — — CN disclosed
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