SCHEMBL3358041

SCHEMBL3358041

CCCCOc1nc(N)c2nc(OC)n(CCOCC3CCCO3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.51
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
RECQL P46063 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3355999 0.97 TLR7 (0.51) TLR7KDM4EMEN1USP2ALDH1A1
SCHEMBL3356920 0.96 TLR7 (0.53) TLR7KDM4EMEN1USP2ALDH1A1
SCHEMBL3436183 0.94 TLR7 (0.53) TLR7KDM4EMEN1USP2ALDH1A1
SCHEMBL3359719 0.94 TLR7 (0.53) TLR7KDM4EMEN1USP2ALDH1A1
SCHEMBL2195843 0.90 TLR7 (0.57) TLR7KDM4EMEN1USP2ALDH1A1
SCHEMBL2198970 0.89 TLR7 (0.61) TLR7KDM4EMEN1USP2ALDH1A1
SCHEMBL2198572 0.88 TLR7 (0.65) TLR7KDM4EMEN1USP2ALDH1A1
SCHEMBL2197783 0.87 TLR7 (0.58) TLR7
SCHEMBL3355766 0.86 TLR7 (0.51) TLR7
SCHEMBL2197633 0.86 TLR7 (0.62) TLR7

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-2010018132-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed