SCHEMBL8796985

SCHEMBL8796985

O=C1NC(Cc2ccc(OCCN3COc4cccc(Br)c4C3=O)cc2)C(=O)S1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.36
FFAR1 O14842 4/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 2/20 0.32
POLB P06746 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
CTSK P43235 1/20 0.30
KDM4A O75164 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8796663 0.90 FFAR1 (0.36) HRH3FFAR1PPARGPOLBALDH1A1
SCHEMBL8796863 0.88 HRH3 (0.35) HRH3FFAR1
SCHEMBL6953755 0.85 HRH3 (0.40) HRH3FFAR1PPARGCTSK
SCHEMBL8796976 0.83 FFAR1 (0.50) HRH3FFAR1PPARAPPARGALDH1A1
SCHEMBL8798105 0.81 HRH3 (0.44) HRH3FFAR1PPARGPOLBMAPT
SCHEMBL8797027 0.80 HRH3 (0.36) HRH3FFAR1PPARGPOLBALDH1A1
SCHEMBL8797744 0.80 HRH3 (0.35) HRH3FFAR1PPARAPPARGPOLB
SCHEMBL8797111 0.80 HRH3 (0.35) HRH3FFAR1PPARGPOLBKDM4A
SCHEMBL8797318 0.80 ESR1 (0.37)
SCHEMBL8797305 0.80 HRH3 (0.36) HRH3POLBALDH1A1LMNAMAPT

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