SCHEMBL19503121

SCHEMBL19503121

CCCCOCCCc1nc2c[n+]([O-])c3cc(Br)ccc3c2n1Cc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.44
RXFP1 Q9HBX9 1/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL19475365 0.90 TLR7 (0.42) TLR7RXFP1PIK3R1PIK3CAKMT2A
SCHEMBL22445197 0.83 AGTR1 (0.42) TLR7ALDH1A1KMT2AMAPTADORA3
SCHEMBL19503120 0.82 TLR7 (0.49) TLR7RXFP1ALDH1A1KMT2AADORA3
SCHEMBL26981077 0.82 TLR7 (0.59) TLR7RXFP1ADORA3TLR8
SCHEMBL29280827 0.81 LMNA (0.49) ALDH1A1KMT2AMAPTMEN1
SCHEMBL30842222 0.81 LMNA (0.49) ALDH1A1KMT2AMAPTMEN1
SCHEMBL30842204 0.79 TSPO (0.40) PIK3R1PIK3CAALDH1A1KMT2AMAPT
SCHEMBL20741496 0.79 TSPO (0.40) PIK3R1PIK3CAALDH1A1KMT2AMAPT
SCHEMBL20475984 0.78 KCNH2 (0.42) PIK3R1PIK3CAALDH1A1KMT2AMAPT
SCHEMBL30842202 0.78 KCNH2 (0.42) PIK3R1PIK3CAALDH1A1KMT2AMAPT

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-2017184746-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed