SCHEMBL18477808

SCHEMBL18477808

CNCC(=O)OC(=O)c1nc2ccccc2c2c1ncn2CC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
ADORA2A P29274 2/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGER Q15109 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL18477800 0.89 TLR7 (0.55) TLR7LMNAPOLBADORA2AHRH2
Hydrochloric Acid SCHEMBL3191333 0.89 TLR7 (0.54) TLR7LMNAPOLBADORA2AHRH2
SCHEMBL18477813 0.86 TLR7 (0.40) TLR7LMNAPOLBADORA2AHRH2
SCHEMBL3185905 0.84 EGLN3 (0.41) TLR7LMNAPOLBADORA2AHRH2
Sarcosine SCHEMBL18477807 0.84 TLR7 (0.46) TLR7LMNAPOLBADORA2AHRH2
Hydrochloric Acid SCHEMBL3188640 0.83 EGLN3 (0.41) TLR7LMNAPOLBADORA2AHRH2
SCHEMBL3187479 0.83 NPC1 (0.41) TLR7LMNAPOLBADORA2AHRH2
Hydrochloric Acid SCHEMBL3191447 0.82 NPC1 (0.40) TLR7LMNAPOLBADORA2AHRH2
SCHEMBL18477818 0.82 IKBKB (0.40) TLR7LMNAPOLBADORA2AHRH2
SCHEMBL18477810 0.81 GRK6 (0.41) TLR7LMNAPOLBADORA2AHRH2

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-9567329-B2 High penetration prodrug compositions of 1H-imidazo[4,5-c]quinolin-4-amines and 1H-imidazo[4,5-c]quinolin-4-amine-related compounds and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2017-02-14 US claimed