SCHEMBL1874671

SCHEMBL1874671

CCCCSc1cc2c([nH]c(=O)c(=O)n2Cc2ccccc2)c(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TLR7 Q9NYK1 2/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
CTSB P07858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40

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
SCHEMBL1870034 0.89 TLR7 (0.53) KMT2ATLR7KDM4EABL1RIN1
SCHEMBL1871071 0.77 PTGES (0.45) KMT2AALDH1A1HPGDTLR7TSHR
SCHEMBL1882183 0.76 TLR7 (0.42) KMT2AALDH1A1HPGDTLR7TSHR
SCHEMBL1882180 0.76 TLR7 (0.42) KMT2AALDH1A1HPGDTLR7TSHR
SCHEMBL1874349 0.73 TLR7 (0.54) TLR7
SCHEMBL1870397 0.72 TLR7 (0.70) TLR7
SCHEMBL1869091 0.71 TLR7 (0.57) TLR7
SCHEMBL3951639 0.69 TLR7 (0.53) TLR7
SCHEMBL12667653 0.69 TLR7 (0.48) ALDH1A1MAPTTLR7TP53
SCHEMBL1882626 0.69 TLR7 (0.45) KMT2AALDH1A1HPGDTLR7TSHR

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
WO-2011057148-A1 COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS IRM LLC (BM) 2011-05-12 WO disclosed
WO-2011057148-A1 COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS IRM LLC (BM) 2011-05-12 WO disclosed