SCHEMBL5357501

SCHEMBL5357501

O=C(NCc1ccccc1)c1ccccc1Nc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 4/20 0.83
CXCR2 P25025 1/20 0.65
SIRT2 Q8IXJ6 1/20 0.64
KMT2A Q03164 5/20 0.63
MEN1 O00255 3/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
APEX1 P27695 1/20 0.58
METAP2 P50579 1/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
FABP4 P15090 1/20 0.56
PTGS1 P23219 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
SCHEMBL28674998 0.91 MT-CO2 (1.00) MT-CO2CXCR2SIRT2KMT2AMEN1
SCHEMBL10980741 0.91 MT-CO2 (0.89) MT-CO2CXCR2SIRT2KMT2AMEN1
SCHEMBL5357441 0.90 MT-CO2 (0.69) MT-CO2CXCR2SIRT2KMT2AMEN1
SCHEMBL10985039 0.86 MAPT (0.69) MT-CO2KMT2AMEN1KDM4EHPGD
SCHEMBL28689403 0.86 MT-CO2 (0.72) MT-CO2KMT2AMEN1HPGDALDH1A1
SCHEMBL11901003 0.82 KMT2A (0.89) KMT2AGAAHPGDLMNAL3MBTL1
SCHEMBL31680569 0.82 KMT2A (0.89) KMT2AGAAHPGDLMNAL3MBTL1
SCHEMBL7199403 0.82 MT-CO2 (0.63) MT-CO2SIRT2
SCHEMBL11760920 0.82 ALDH1A1 (0.62) MT-CO2CXCR2SIRT2KMT2AMEN1
SCHEMBL13932577 0.82 KDM4E (0.65) MT-CO2KMT2AMEN1KDM4EGAA

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