SCHEMBL25344826

SCHEMBL25344826

COC1CC(Oc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
HSPB1 P04792 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SIRT6 Q8N6T7 1/20 0.36
HTT P42858 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
SCHEMBL2369115 1.00 TDP1 (0.45) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL12256803 1.00 TDP1 (0.45) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL2369118 1.00 TDP1 (0.45) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL12256889 0.90 TDP1 (0.44) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL2369473 0.90 TDP1 (0.41) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL2369066 0.90 TDP1 (0.41) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL2369073 0.90 TDP1 (0.41) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL2369063 0.90 TDP1 (0.41) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL2369476 0.90 TDP1 (0.41) TDP1ATMFFAR1FFAR4ALDH1A1
SCHEMBL2369459 0.89 TDP1 (0.45) TDP1ATMALDH1A1MAPTHSPB1

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
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed