SCHEMBL5533769

SCHEMBL5533769

CCCc1nc2c[n+](O)c3cc(OC4CCN(C(=O)[O-])CC4)ccc3c2s1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
EGFR P00533 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
CHEK2 O96017 1/20 0.33
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
ERBB2 P04626 1/20 0.33
CHRM2 P08172 1/20 0.33
BRD4 O60885 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL5533763 0.85 BRD4 (0.34) HRH3HCAR2HCAR1PIK3CDPIK3CA
SCHEMBL5087216 0.82 GPR119 (0.44) HRH3CHEK2BRD4
SCHEMBL5089181 0.74 MTNR1A (0.37)
SCHEMBL5087070 0.74 MTNR1A (0.38)
SCHEMBL5087087 0.73 GPR119 (0.43) HRH3CHEK2
SCHEMBL16456577 0.71 TLR8 (0.52) F2F10
SCHEMBL5545225 0.68 TLR8 (0.46)
SCHEMBL5090696 0.68 TLR8 (0.46) HRH3CHEK2
SCHEMBL5087063 0.64 MTNR1A (0.37)
SCHEMBL5090110 0.63 CA12 (0.41)

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
EP-1846419-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-24 EP disclosed
WO-2006086449-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO disclosed