SCHEMBL10593276

SCHEMBL10593276

N#CC(NC(=O)c1cccnc1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 2/20 0.52
MAPK1 P28482 2/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.49
HTT P42858 2/20 0.46
LMNA P02545 6/20 0.46
HDAC1 Q13547 2/20 0.46
GAA P10253 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
TSHR P16473 1/20 0.44
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL10585741 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL10719844 0.76 HDAC1 (0.47) ALDH1A1KMT2AMAPK1MEN1HTT
SCHEMBL9555506 0.76 PRKCI (0.46) ALDH1A1MAPK1HTTHPGDRAB9A
SCHEMBL5235421 0.75 HTT (0.46) ALDH1A1KMT2AMAPK1MEN1HTT
SCHEMBL10645039 0.74 HDAC1 (0.54) ALDH1A1KMT2ACYP2C19MEN1LMNA
SCHEMBL9681155 0.74 THRB (0.45) ALDH1A1KMT2ACYP2C19MEN1LMNA
SCHEMBL7701579 0.74 ALOX5 (0.43) ALDH1A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL7678624 0.73 AGTR1 (0.46) KMT2ACYP2C19MEN1HDAC1HDAC6
SCHEMBL16921256 0.72 KMT2A (0.65) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL7664906 0.72 GSK3B (0.44) ALDH1A1KMT2AMEN1HTTLMNA

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
JP-1061478-A None JP disclosed