SCHEMBL8304397

SCHEMBL8304397

COc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4)cc23)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
TDP1 Q9NUW8 1/20 0.69
LMNA P02545 1/20 0.68
ALDH1A1 P00352 1/20 0.68
HTT P42858 1/20 0.68
TP53 P04637 3/20 0.68
RXFP1 Q9HBX9 1/20 0.66
BACE1 P56817 2/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL8303964 0.86 TP53 (0.70) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL8305881 0.86 GAA (0.67) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL8312211 0.85 MAPT (0.75) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL8312498 0.85 MAPT (0.75) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL8312029 0.85 BACE1 (0.66) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL8311209 0.85 BACE1 (0.66) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL8310899 0.85 BACE1 (0.71) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL8312486 0.85 BACE1 (0.71) MAPTTDP1LMNAALDH1A1HTT
SCHEMBL18997899 0.85 TP53 (0.71) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL8307575 0.84 BACE1 (0.65) MAPTTDP1LMNAALDH1A1HTT

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