SCHEMBL14447553

SCHEMBL14447553

Nc1nc2ccccc2n1CCCCCCCn1c(N)nc2ccccc21

nearest known ligand 0.96

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.96
TLR8 Q9NR97 5/20 0.84
POLB P06746 1/20 0.72
HTT P42858 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
NOD1 Q9Y239 4/20 0.57
CXCL8 P10145 2/20 0.57
TNF P01375 2/20 0.57
NOD2 Q9HC29 2/20 0.57
SOS1 Q07889 1/20 0.57
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
NOS2 P35228 1/20 0.53

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
SCHEMBL6197634 1.00 CXCR4 (0.96) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL6196399 0.98 CXCR4 (1.00) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL7164854 0.94 CXCR4 (0.93) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL16512992 0.92 TLR8 (1.00) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL30814682 0.92 CXCR4 (0.81) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL22844179 0.92 CXCR4 (0.81) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL22844258 0.92 CXCR4 (0.81) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL6199065 0.90 CXCR4 (0.85) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL22844184 0.90 CXCR4 (0.84) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL1170110 0.90 TLR8 (1.00) CXCR4TLR8POLBHTTCYP1A2

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-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed