SCHEMBL26617522

SCHEMBL26617522

COC(=O)c1nc2ccccc2nc1N1CCCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.47
▸ TP53 P04637 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SCN10A Q9Y5Y9 5/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ WHR1 P49842 2/20 0.41
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL31561373 0.88 MAPT (0.45) MAPTTP53LMNATHRBRXFP1
SCHEMBL26617552 0.85 MAPT (0.46) MAPTTP53LMNATHRBRXFP1
SCHEMBL30681915 0.85 MAPT (0.46) MAPTTP53LMNATHRBRXFP1
SCHEMBL31105824 0.84 MAPT (0.45) MAPTTP53LMNATHRBRXFP1
SCHEMBL30681914 0.84 MAPT (0.66) MAPTTP53LMNATHRBRXFP1
SCHEMBL26617612 0.84 MAPT (0.66) MAPTTP53LMNATHRBRXFP1
SCHEMBL26730778 0.82 MAPT (0.45) MAPTTP53LMNATHRBRXFP1
SCHEMBL31105531 0.79 SCN10A (0.63) MAPTTP53LMNATHRBRXFP1
SCHEMBL31105775 0.79 MAPT (0.55) MAPTTP53LMNATHRBRXFP1
SCHEMBL26618045 0.77 SCN10A (0.46) ALDH1A1MEN1KMT2AKDM4ESCN10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
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