SCHEMBL8797670

SCHEMBL8797670

COc1ccc2c(c1)C(=O)N(CCOc1ccc(/C=C3\SC(=O)NC3=O)cc1)CO2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.52
PIM1 P11309 4/20 0.52
PIM2 Q9P1W9 4/20 0.52
AKR1B1 P15121 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
NOD2 Q9HC29 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
CISD1 Q9NZ45 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47

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
SCHEMBL8797673 1.00 HPGD (0.52) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL8796691 0.93 HPGD (0.52) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL8796684 0.93 HPGD (0.52) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL8797677 0.91 CSNK2A2 (0.51) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL8797917 0.89 HPGD (0.52) HPGDPIM1PIM2HRH3CISD1
SCHEMBL8797922 0.89 HPGD (0.52) HPGDPIM1PIM2HRH3CISD1
SCHEMBL7454718 0.87 MGAM (0.58) HPGDPIM1PIM2POLBHRH3
SCHEMBL8796772 0.87 MGAM (0.58) HPGDPIM1PIM2POLBHRH3
SCHEMBL8798466 0.86 HPGD (0.49) HPGDPIM1PIM2HRH3MAOA
SCHEMBL8798469 0.86 HPGD (0.49) HPGDPIM1PIM2HRH3MAOA

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