SCHEMBL5357441

SCHEMBL5357441

O=C(NCc1ccccc1)c1ccccc1Nc1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 3/20 0.69
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
MAPK1 P28482 2/20 0.58
CXCR2 P25025 1/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
PRKCG P05129 1/20 0.55
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
AKT1 P31749 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
PRKX P51817 1/20 0.55
PRKCD Q05655 1/20 0.55
PRKG2 Q13237 1/20 0.55
ROCK1 Q13464 1/20 0.55
DYRK1A Q13627 1/20 0.55
PRKG1 Q13976 1/20 0.55

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
SCHEMBL5357501 0.90 MT-CO2 (0.83) MT-CO2KMT2AMEN1CXCR2SIRT2
SCHEMBL10980741 0.84 MT-CO2 (0.89) MT-CO2KMT2AMEN1CXCR2SIRT2
SCHEMBL12204389 0.84 MAPK1 (0.63) KMT2AMEN1MAPK1ROCK2RPS6KA5
SCHEMBL10836939 0.83 MEN1 (0.54) MT-CO2KMT2AMEN1MAPK1CXCR2
SCHEMBL28674998 0.82 MT-CO2 (1.00) MT-CO2KMT2AMEN1CXCR2SIRT2
SCHEMBL10837292 0.82 HPGD (0.59) MT-CO2KMT2AMEN1MAPK1POLB
SCHEMBL10838798 0.81 POLB (0.58) MT-CO2KMT2AMEN1CXCR2PKN2
SCHEMBL4173936 0.81 POLB (0.52) MT-CO2KMT2AMEN1POLBSIRT2
SCHEMBL10838506 0.81 HPGD (0.57) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL10838068 0.81 L3MBTL1 (0.54) MT-CO2KMT2AMEN1POLBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO disclosed