SCHEMBL14592756

SCHEMBL14592756

Nc1nc2ccccc2c2c1ncn2CCCCNC(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.44
▸ NPY5R Q15761 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ ADORA2A P29274 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
▸ MAPK1 P28482 3/20 0.43
▸ CCR3 P51677 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL14592812 0.86 KMT2A (0.44) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592764 0.86 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5746829 0.85 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592834 0.85 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592796 0.85 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592782 0.84 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592762 0.84 KMT2A (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592781 0.83 KDM4E (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592713 0.83 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592749 0.82 TLR7 (0.58) TLR7LMNAPOLBHRH2ADRA1D

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-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 — — US disclosed
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