SCHEMBL31298565

SCHEMBL31298565

COc1ccc2c(Br)ccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
FERMT2 Q96AC1 1/20 0.52
TLR8 Q9NR97 1/20 0.50
GAK O14976 1/20 0.50
RIPK2 O43353 1/20 0.50
COQ8A Q8NI60 1/20 0.50
NLK Q9UBE8 1/20 0.50
MAP4K4 O95819 1/20 0.47
ROS1 P08922 1/20 0.47
PIM1 P11309 1/20 0.47
PHKG2 P15735 1/20 0.47
CDK2 P24941 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
CLK2 P49760 1/20 0.47
RPS6KA3 P51812 1/20 0.47

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
SCHEMBL2996402 1.00 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL590225 0.86 LMNA (0.58) HTR1AADRA1DADRA1AADRA1BGAK
SCHEMBL29923390 0.86 LMNA (0.58) HTR1AADRA1DADRA1AADRA1BGAK
SCHEMBL25739731 0.82 GRM4 (0.50) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8145365 0.81 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2997568 0.80 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30682081 0.79 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL201122 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL11772078 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL3841526 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2

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-2025007113-A2 MITOCHONDRIAL COMPLEX I INHIBITORS WITH REDUCED PHOSPHODIESTERASE INHIBITION OHIO STATE INNOVATION FOUNDATION (US) 2025-01-02 WO disclosed