SCHEMBL7428719

SCHEMBL7428719

COC(=O)C1CC(=NO)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
CASP6 P55212 1/20 0.39
TSHR P16473 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
PTK2B Q14289 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ITGA4 P13612 1/20 0.37
POLB P06746 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7480796 0.81 ALDH1A1 (0.45) KMT2AMAPTNPSR1MEN1SMN1; SMN2
SCHEMBL7480793 0.81 ALDH1A1 (0.45) KMT2AMAPTNPSR1MEN1SMN1; SMN2
SCHEMBL2387532 0.80 GLS (0.46) PKMKMT2AMAPTMEN1ALDH1A1
SCHEMBL25815905 0.77 MAPT (0.33) PKMCASP6TSHRKMT2AMAPT
SCHEMBL30337762 0.77 MAPT (0.33) PKMCASP6TSHRKMT2AMAPT
SCHEMBL25816150 0.77 MAPT (0.33) PKMCASP6TSHRKMT2AMAPT
SCHEMBL7818824 0.75 KMT2A (0.43) PKMCASP6KMT2AMAPTHTT
SCHEMBL7818827 0.75 KMT2A (0.43) PKMCASP6KMT2AMAPTHTT
SCHEMBL7739985 0.75 POLB (0.38) PKMTSHRKMT2AMAPTALDH1A1
SCHEMBL6649819 0.74 MEN1 (0.36) PKMCASP6TSHRKMT2AMAPT

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
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed