SCHEMBL30438307

SCHEMBL30438307

Brc1ccc2ccc(CCCOCc3ccccc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYSLTR1 Q9Y271 7/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
BACE1 P56817 1/20 0.36
MAOB P27338 1/20 0.36
CYSLTR2 Q9NS75 3/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL20641693 0.80 TLR8 (0.44) HRH4HRH3LMNABACE1
SCHEMBL6042497 0.78 HRH4 (0.49) HRH4HRH3TDP1L3MBTL1LMNA
SCHEMBL20641735 0.77 TLR8 (0.45) HRH4HRH3TDP1L3MBTL1LMNA
SCHEMBL30437918 0.77 ALOX5AP (0.41) HRH4HRH3CYSLTR1L3MBTL1LMNA
SCHEMBL20641709 0.76 TLR8 (0.44) TDP1L3MBTL1LMNA
SCHEMBL20641726 0.74 ALK (0.44) HRH4HRH3TDP1L3MBTL1LMNA
SCHEMBL4004770 0.74 L3MBTL1 (0.58) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL23469024 0.72 BACE1 (0.46) CYSLTR1L3MBTL1LMNABACE1CYSLTR2
SCHEMBL2658064 0.71 TSHR (0.54) HRH4HRH3TDP1L3MBTL1MAOB
SCHEMBL8192767 0.71 HRH3 (0.47) HRH4HRH3TDP1L3MBTL1TSHR

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
CN-111793060-B NLRP3 modulators 先天肿瘤免疫公司 2023-06-06 CN disclosed