SCHEMBL9028624

SCHEMBL9028624

COc1ccc(-c2[nH]c3ccc(OC)c(CCCCCCCCCCCCN4CCCCC4)c3c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR9 Q9NR96 4/20 0.42
HRH3 Q9Y5N1 4/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR2A P28223 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7696222 0.82 CCNB2 (0.42) TLR7TLR9SLC6A4
SCHEMBL9027913 0.82 CCNB2 (0.42) TLR7TLR9SLC6A4
SCHEMBL9026910 0.79 CCNB2 (0.40) TLR7TLR9MAPTSLC6A4
SCHEMBL8791452 0.78 CCNB2 (0.48) MAPT
SCHEMBL8789465 0.76 CCNB2 (0.42)
SCHEMBL8789634 0.76 CCNB2 (0.47)
SCHEMBL9028683 0.76 CCNB2 (0.40) TLR7TLR8TLR9
SCHEMBL9029036 0.74 TLR9 (0.41) TLR7TLR8TLR9
SCHEMBL8790751 0.73 CCNB2 (0.44) MAPT
SCHEMBL9029025 0.73 FNTA (0.38) TLR7TLR8TLR9

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-0736008-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1996-10-09 EP disclosed
WO-1995017383-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1995-06-29 WO disclosed