SCHEMBL8306993

SCHEMBL8306993

COc1cccc(CNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4C)cc23)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
POLB P06746 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TP53 P04637 2/20 0.63
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
BACE1 P56817 3/20 0.56
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL8307104 0.90 MAPT (0.72) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8306277 0.88 ALDH1A1 (0.75) MAPTKMT2ATP53ALDH1A1HTT
SCHEMBL8311849 0.87 ALDH1A1 (0.74) MAPTKMT2ATP53ALDH1A1HTT
SCHEMBL8311697 0.87 ALDH1A1 (0.74) MAPTKMT2ATP53ALDH1A1HTT
SCHEMBL8305904 0.87 MAPT (0.86) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8311545 0.86 MAPT (0.73) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8307061 0.86 MAPT (0.73) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8306064 0.85 MAPT (0.66) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8308181 0.85 MAPT (0.83) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8312524 0.85 TP53 (0.77) MAPTPOLBMEN1KMT2ATP53

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