SCHEMBL26028906

SCHEMBL26028906

CC(C)(C)c1c[nH]c2ccc(Br)c(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
CYP2A6 P11509 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3408746 0.77
SCHEMBL14520978 0.76 HTR1A (0.33) HTR1AHTR7HTR6MEN1ALDH1A1
SCHEMBL12588447 0.76 P2RX7 (0.40) HTR1AHTR7HTR6CYP2A6MEN1
SCHEMBL23426056 0.74 HTR1A (0.34) HTR1AHTR7HTR6CYP2A6
SCHEMBL21792700 0.73 GPR84 (0.53) CYP2A6GAA
SCHEMBL30447652 0.72 CYP2A6 (0.33) HTR1AHTR7HTR6CYP2A6MEN1
SCHEMBL153944 0.72 ALDH1A1 (0.37) HTR1AHTR7HTR6CYP2A6MEN1
SCHEMBL8996720 0.72 CYP2A6 (0.33) HTR1AHTR7HTR6CYP2A6MEN1
SCHEMBL30874715 0.72 HTR1A (0.34) HTR1AHTR7HTR6CYP2A6MEN1
SCHEMBL27789270 0.72 CYP2A6 (0.33) HTR1AHTR7HTR6CYP2A6MEN1

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
US-11740241-B2 Construct including an anchor, an enzyme recognition site and an indicator region for detecting microbial infection in wounds SYNOVO GMBH (DE) 2023-08-29 US disclosed