SCHEMBL28429276

SCHEMBL28429276

Nc1nc(SCCC(F)(F)F)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 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
SCHEMBL28387675 0.90 MGMT (0.32)
SCHEMBL1833875 0.90 TLR7 (0.36) TLR7
SCHEMBL28094891 0.84
SCHEMBL7564825 0.82 TLR7 (0.47) TLR7
SCHEMBL26640974 0.76 TLR7 (0.39) TLR7
SCHEMBL2459755 0.73 KMT2A (0.41)
SCHEMBL28386004 0.73 ALDH1A1 (0.37) TLR7
SCHEMBL28383080 0.72 ABCB1 (0.33)
SCHEMBL6354287 0.72 PAK4 (0.50)
SCHEMBL1254741 0.70 TLR7 (0.51) 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
CN-105481922-B Preparation method of cangrelor intermediate 上海勋和医药科技有限公司 2020-06-16 CN disclosed