SCHEMBL8797357

SCHEMBL8797357

CC1Oc2ccccc2C(=O)N1CCOc1ccc(CC2NC(=O)SC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
RAB9A P51151 2/20 0.37
PPARG P37231 3/20 0.36
FFAR1 O14842 2/20 0.36
PDE6D O43924 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.33
KDM4A O75164 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL8797185 0.85 KMT2A (0.36) HRH3PPARGFFAR1PDE6DUSP2
SCHEMBL8797348 0.82 PPARG (0.56) HRH3PPARGFFAR1HPGDHSD17B10
SCHEMBL8798492 0.82 HRH3 (0.38) HRH3RAB9APPARGFFAR1PDE6D
SCHEMBL8796972 0.81 HRH3 (0.37) HRH3RAB9APPARGFFAR1HPGD
SCHEMBL6953755 0.80 HRH3 (0.40) HRH3RAB9APPARGFFAR1HPGD
SCHEMBL9143100 0.80 HPGD (0.54) HRH3RAB9APPARGFFAR1HPGD
SCHEMBL8798105 0.78 HRH3 (0.44) HRH3RAB9APPARGFFAR1USP2
SCHEMBL8797389 0.77 MGAM (0.55) HRH3HPGDGAA
SCHEMBL8797385 0.77 MGAM (0.55) HRH3HPGDGAA
SCHEMBL8797062 0.76 PPARG (0.36) HRH3RAB9APPARGFFAR1USP2

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
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed