SCHEMBL9876982

SCHEMBL9876982

CCOC(=O)Cn1nc(-c2ccc(NCCN(C)C)cc2)c2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
XDH P47989 2/20 0.40
HPGD P15428 3/20 0.40
NAMPT P43490 2/20 0.40
KAT2B Q92831 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
TRPM2 O94759 1/20 0.38

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
SCHEMBL9236247 0.88 KAT2B (0.44) GAAALDH1A1MAPTHPGDNAMPT
SCHEMBL9876736 0.85 GAA (0.49) GAAKMT2AMEN1ALDH1A1POLB
SCHEMBL9876979 0.84 GAA (0.48) GAAKMT2AMEN1ALDH1A1POLB
Fumaric Acid SCHEMBL9236905 0.80 GAA (0.47) GAAKMT2AMEN1ALDH1A1POLB
Maleic Acid SCHEMBL9236899 0.80 GAA (0.47) GAAKMT2AMEN1ALDH1A1POLB
Fumaric Acid SCHEMBL9236902 0.80 GAA (0.46) GAAKMT2AMEN1ALDH1A1POLB
Maleic Acid SCHEMBL9236897 0.80 GAA (0.46) GAAKMT2AMEN1ALDH1A1POLB
SCHEMBL9235926 0.79 GAA (0.47) GAAKMT2AMEN1ALDH1A1POLB
SCHEMBL9235920 0.79 GAA (0.47) GAAKMT2AMEN1ALDH1A1POLB
SCHEMBL9877149 0.78 NAMPT (0.53) GAAHPGDNAMPTKAT2BKDM4E

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
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed