SCHEMBL22741083

SCHEMBL22741083

O=C(N[n+]1ccccc1)c1ccc(C#CC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
HAO1 Q9UJM8 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES O14684 1/20 0.34
MAPT P10636 1/20 0.34
MLYCD O95822 1/20 0.33

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
SCHEMBL22390046 0.79 NPC1 (0.51) LMNAMAPT
SCHEMBL30727809 0.75 HDAC6 (0.48) HTTRARBRARGLMNAL3MBTL1
SCHEMBL11555086 0.75 MEN1 (0.51)
SCHEMBL4491026 0.74 RARB (0.55) HAO1RARBRARGPTGES
SCHEMBL8441391 0.74 ALOX15 (0.52) L3MBTL1MAPT
SCHEMBL11556634 0.72 PTGS2 (0.50) HTTLMNAL3MBTL1MAPT
SCHEMBL11557052 0.72 MEN1 (0.51) LMNAL3MBTL1MAPT
SCHEMBL11554687 0.72 ALDH1A1 (0.53) HTTLMNAMAPT
Hydrochloric Acid SCHEMBL11556503 0.70 LMNA (0.49) LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL11560023 0.70 MEN1 (0.50) LMNAL3MBTL1MAPT

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-2020241632-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT 日本曹達株式会社 2020-12-03 WO disclosed