SCHEMBL29550438

SCHEMBL29550438

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KCNJ11 Q14654 2/20 0.39
▸ KCNK3 O14649 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL20839519 0.82 RXFP1 (0.40) NPC1RAB9ALMNARXFP1HTT
SCHEMBL29549701 0.81 HDAC1 (0.48) P2RX1NPC1RAB9AKCNJ11KCNK3
SCHEMBL4184912 0.80 KCNK3 (0.48) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL13516024 0.80 KCNJ11 (0.33) KCNJ11
SCHEMBL12348588 0.79 KCNK3 (0.57) P2RX1NPC1RAB9AKCNK3LMNA
SCHEMBL29549833 0.78 KCNK2 (0.43) P2RX1NPC1RAB9AKCNJ11KCNK3
SCHEMBL13516490 0.75 KCNJ11 (0.32) KCNJ11
SCHEMBL13516044 0.75 KCNJ11 (0.32) KCNJ11
SCHEMBL1766371 0.75 RXFP1 (0.50) KCNK3KCNK9RXFP1ALDH1A1
SCHEMBL27813370 0.74 P2RX1 (0.51) P2RX1NPC1RAB9AKCNJ11KCNK3

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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