SCHEMBL8305899

SCHEMBL8305899

CC1CCCC(C)N1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3C)cc12

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
MAPT P10636 4/20 0.74
POLB P06746 1/20 0.74
BACE1 P56817 3/20 0.71
TP53 P04637 2/20 0.68
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL8305766 0.92 KMT2A (0.89) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305903 0.92 MEN1 (0.91) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8306046 0.92 BACE1 (0.84) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8310925 0.91 BACE1 (0.81) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305999 0.88 MEN1 (1.00) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8311300 0.88 KMT2A (0.77) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8311540 0.87 KMT2A (0.91) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305712 0.86 MAPT (0.87) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8308429 0.86 MEN1 (0.78) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305862 0.86 KMT2A (0.75) MEN1KMT2AMAPTPOLBBACE1

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-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 WO disclosed