SCHEMBL7370361

SCHEMBL7370361

CCc1nc(-c2ccc(OC)c(OC)c2)[nH]c1-c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.59
TLR7 Q9NYK1 4/20 0.59
NPY5R Q15761 1/20 0.56
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 4/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOA2 Q15596 1/20 0.46

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
Hydrochloric Acid SCHEMBL7400891 0.99 TLR8 (0.58) TLR8TLR7NPY5RKDM4EALDH1A1
SCHEMBL7366807 0.84 NPY5R (0.59) TLR8TLR7NPY5RKDM4EALDH1A1
SCHEMBL7371766 0.81 PDE2A (0.53) TLR8TLR7NPY5RKDM4EALDH1A1
SCHEMBL13263305 0.80 NPY5R (0.48) NPY5RKDM4EALDH1A1HPGDNPC1
SCHEMBL13115243 0.80 NPY5R (0.57) NPY5RKDM4EALDH1A1HPGDNPC1
SCHEMBL13115333 0.79 CYP19A1 (0.57) NPY5RKDM4EALDH1A1HPGDNPC1
SCHEMBL13115335 0.77 CYP19A1 (0.49) NPY5RALDH1A1MAPK1HSD17B10KIT
SCHEMBL13115328 0.76 CYP11B2 (0.54) NPY5RKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL7369700 0.75 NPY5R (0.46) TLR8TLR7NPY5RKDM4EALDH1A1
SCHEMBL11342031 0.75 KDM4E (0.70) TLR8TLR7NPY5RKDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed