SCHEMBL8307022

SCHEMBL8307022

CCOc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3CC)cc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
TP53 P04637 2/20 0.61
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.52
PKM P14618 1/20 0.51
BACE1 P56817 3/20 0.49
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL8307106 0.92 MAPT (0.72) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL8307119 0.89 MAPT (0.59) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL8305758 0.88 TP53 (0.72) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL8303993 0.87 TP53 (0.60) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL8308181 0.84 MAPT (0.83) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL8312230 0.84 TP53 (0.61) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL8304039 0.83 TP53 (0.61) MAPTTP53RXFP1LMNAALDH1A1
SCHEMBL8307088 0.83 MAPT (0.76) MAPTTP53LMNAALDH1A1HTT
SCHEMBL8312249 0.83 MEN1 (0.56) MAPTTP53LMNAALDH1A1HTT
SCHEMBL8312689 0.83 MEN1 (0.56) MAPTTP53LMNAALDH1A1HTT

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