SCHEMBL8796803

SCHEMBL8796803

CCOc1ccc2c(c1)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
HRH3 Q9Y5N1 5/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4A O75164 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.33
GRM2 Q14416 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
SCHEMBL8797688 0.92 HRH3 (0.35) HTTHRH3ALDH1A1SMN1; SMN2MEN1
SCHEMBL8797566 0.89 HRH3 (0.40) HRH3ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL8797138 0.89 HRH3 (0.34) HRH3KDM4AUSP2POLBALOX15
SCHEMBL8797588 0.89 DRD2 (0.36) HRH3SMN1; SMN2MEN1KMT2ADRD2
SCHEMBL8796899 0.89 GAA (0.38) HRH3ALDH1A1LMNAKMT2AKDM4A
SCHEMBL8796797 0.89 FFAR1 (0.39) HRH3
SCHEMBL8797133 0.89 HRH3 (0.34) HRH3KDM4AUSP2POLBALOX15
SCHEMBL8797027 0.89 HRH3 (0.36) HRH3ALDH1A1MEN1LMNAKMT2A
SCHEMBL8797039 0.88 KDM4E (0.34) HRH3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8797429 0.88 MAOB (0.35) HRH3SMN1; SMN2KMT2AMAPT

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