SCHEMBL14439852

SCHEMBL14439852

CSc1c(C(C)C)nc(CO)n1Cc1ccc(CN)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.35
POLB P06746 1/20 0.33
TLR8 Q9NR97 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KLKB1 P03952 1/20 0.30
KLK1 P06870 1/20 0.30

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
SCHEMBL14439848 0.87 POLB (0.46) POLBMEN1KMT2A
SCHEMBL14439853 0.85 MEN1 (0.32) POLBMEN1KMT2A
SCHEMBL14439846 0.74 PLA2G2A (0.48)
SCHEMBL6971451 0.73 HSP90B1 (0.33)
SCHEMBL7087537 0.72 TBXA2R (0.31)
SCHEMBL14439849 0.72 PLA2G2A (0.41) POLBMEN1KMT2A
SCHEMBL14439855 0.72 TDP1 (0.33)
SCHEMBL6975192 0.71 TDP1 (0.43) POLBMEN1KMT2A
SCHEMBL7078348 0.71 SMN1; SMN2 (0.36) TLR7POLBMEN1KMT2A
SCHEMBL6966952 0.70 TDP1 (0.34) 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
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed