SCHEMBL8797248

SCHEMBL8797248

CC(=O)c1ccc2c(c1)C(=O)N(CCCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.37
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4A O75164 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL8797039 0.96 KDM4E (0.34) HRH3HRH2HRH1KDM4EL3MBTL1
SCHEMBL8797173 0.89 HRH3 (0.33) HRH3
SCHEMBL8797206 0.87 HRH3 (0.38) HRH3L3MBTL1KDM4AUSP2POLB
SCHEMBL8796918 0.87 HRH3 (0.38) HRH3L3MBTL1KMT2AKDM4AUSP2
SCHEMBL8797974 0.87 HRH3 (0.37) HRH3HRH2HRH1MEN1DRD2
SCHEMBL8797244 0.86 HRH3 (0.52) HRH3MEN1MAPTKMT2AALDH1A1
SCHEMBL8798105 0.85 HRH3 (0.44) HRH3L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL8796841 0.85 HRH3 (0.39) HRH3L3MBTL1MEN1MAPTRAB9A
SCHEMBL8797688 0.85 HRH3 (0.35) HRH3L3MBTL1GAAMEN1MAPT
SCHEMBL8797269 0.85 HRH3 (0.35) HRH3KMT2ASMN1; SMN2ALDH1A1

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