SCHEMBL8305712

SCHEMBL8305712

Cc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4C)cc23)cc1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.87
POLB P06746 1/20 0.87
TP53 P04637 2/20 0.77
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
BACE1 P56817 3/20 0.64
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL8311545 0.92 MAPT (0.73) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8305881 0.87 GAA (0.67) MAPTPOLBTP53BACE1GAA
SCHEMBL8305766 0.87 KMT2A (0.89) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8305899 0.86 MEN1 (0.79) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8305903 0.86 MEN1 (0.91) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8306046 0.86 BACE1 (0.84) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8311300 0.86 KMT2A (0.77) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8307061 0.85 MAPT (0.73) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8305999 0.85 MEN1 (1.00) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8307104 0.84 MAPT (0.72) MAPTPOLBTP53MEN1KMT2A

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