SCHEMBL7974244

SCHEMBL7974244

C/C=C(\C)OC(=O)N1CCc2nn(S(=O)(=O)c3ccc(C)cc3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37
USP9X Q93008 2/20 0.35
MAPT P10636 4/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL1417607 0.84 ESR2 (0.45) KMT2AMEN1MAPTESR2
SCHEMBL7985524 0.80 ALDH1A1 (0.39) KMT2AALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL1418084 0.74 KMT2A (0.35) KMT2AALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL1419555 0.73 KMT2A (0.37) KMT2AALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL12670983 0.73 MEN1 (0.40) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL12670984 0.70 MEN1 (0.42) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7974241 0.67 MEN1 (0.45) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL29383213 0.67 MAPT (0.50) MAPTESR2
SCHEMBL7991790 0.65 GAA (0.40) KMT2AALDH1A1SMN1; SMN2LMNAUSP2
SCHEMBL21257533 0.65 USP9X (0.46) USP9XESR2MMP2ANPEP

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-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed