SCHEMBL5753352

SCHEMBL5753352

Cc1c(Br)cncc1C=O.Cc1c(Br)cncc1CC(C)N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HRH4 Q9H3N8 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL5848592 0.88 HTR2A (0.41) HTR2ATAAR1HRH4HRH3ALDH1A1
SCHEMBL112640 0.79 LMNA (0.37) ALDH1A1LMNA
SCHEMBL30191342 0.79 LMNA (0.37) ALDH1A1LMNA
SCHEMBL31260056 0.75 APLNR (0.32)
SCHEMBL14780348 0.67 AOC3 (0.35)
SCHEMBL6507540 0.64 LMNA (0.34) ALDH1A1LMNA
SCHEMBL5794503 0.63 PDXK (0.37) ALDH1A1MEN1KMT2ALMNA
SCHEMBL2781560 0.63 SLC6A2 (0.45) HTR2ATAAR1ALDH1A1MEN1KMT2A
SCHEMBL6508612 0.63 LMNA (0.37) LMNA
SCHEMBL19469845 0.63 TAAR1 (0.45) HTR2ATAAR1

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-1658284-A1 3,5 DISUBSTITUTED INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR MEDIATING OR INHIBITING CELL PROLIFERATION PFIZER INC. (US) 2006-05-24 EP disclosed
WO-2005009997-A1 3,5 DISUBSTITUTED INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR MEDIATING OR INHIBITING CELL PROLIFERATION PFIZER INC. (US) 2005-02-03 WO disclosed