SCHEMBL16359079

SCHEMBL16359079

CC(C)CON1CCCC(C2=NC3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)C(=O)N2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 5/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
PTH1R Q03431 3/20 0.37
CHRM4 P08173 1/20 0.36
TP53 P04637 1/20 0.36
OPRK1 P41145 1/20 0.35
POLB P06746 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL16087530 0.90 PTH1R (0.39) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL849009 0.87 MAPT (0.40) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL16087592 0.86 PTH1R (0.42) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL16087562 0.84 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL847907 0.83 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL849648 0.83 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL16087546 0.82 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL848776 0.82 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTPTH1R
SCHEMBL847373 0.82 MAPT (0.44) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL13552166 0.82 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTTSHR

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-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed