SCHEMBL25833794

SCHEMBL25833794

Clc1cc(C2CCCCCCC2)nc2ccc(C3CCCCCCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
DHODH Q02127 2/20 0.40
EGLN1 Q9GZT9 9/20 0.40
TRIM58 Q8NG06 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
POLB P06746 1/20 0.36
PSMB5 P28074 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
SCHEMBL25833792 0.86 BACE1 (0.48) BACE1DHODHEGLN1TRIM58HRH3
SCHEMBL28438033 0.81 POLB (0.51) DHODHPOLB
SCHEMBL29249925 0.80 ACHE (0.45)
SCHEMBL29219488 0.80 POLB (0.53) DHODHPOLB
SCHEMBL28842660 0.77 ACHE (0.43) HRH3CYP2D6POLB
SCHEMBL28842691 0.77 ACHE (0.43) HRH3CYP2D6POLB
SCHEMBL28842781 0.77 ACHE (0.43) HRH3CYP2D6POLB
SCHEMBL29219450 0.76 POLB (0.53) DHODHPOLB
SCHEMBL30459273 0.75 POLB (0.56) DHODHCYP2D6POLB
SCHEMBL28842680 0.75 ACHE (0.43) HRH3CYP2D6POLB

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-2023133217-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed