SCHEMBL29550296

SCHEMBL29550296

Nc1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2SC(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.38
P2RX1 P51575 3/20 0.37
RXFP1 Q9HBX9 6/20 0.33
CRBN Q96SW2 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
P2RX7 Q99572 2/20 0.31
FADS1 O60427 1/20 0.31
KCNK2 O95069 1/20 0.31
KCNK10 P57789 1/20 0.31
P2RX4 Q99571 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31

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
SCHEMBL28395430 1.00 PTGS1 (0.38) PTGS1P2RX1RXFP1CRBNNPC1
SCHEMBL1766487 0.89 PTGS1 (0.43) PTGS1P2RX1RXFP1CRBNNPC1
SCHEMBL20839522 0.86 RXFP1 (0.37) RXFP1KCNK2KCNK10
SCHEMBL20840686 0.85 P2RX1 (0.41) P2RX1
SCHEMBL22497580 0.84 PTGS1 (0.40) PTGS1P2RX1RXFP1CRBNNPC1
SCHEMBL1767085 0.84 PTGS1 (0.42) PTGS1P2RX1RXFP1CRBNNPC1
SCHEMBL29549892 0.84 PTGS1 (0.42) PTGS1P2RX1RXFP1CRBNNPC1
SCHEMBL20839525 0.84 HTR1F (0.42) RXFP1NPC1RAB9AKDM4EKCNK2
SCHEMBL20839537 0.82 RXFP1 (0.39) PTGS1P2RX1RXFP1
SCHEMBL29549889 0.82 RXFP1 (0.39) PTGS1P2RX1RXFP1

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