SCHEMBL8306384

SCHEMBL8306384

CC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccco3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 4/20 0.67
POLB P06746 1/20 0.66
TP53 P04637 2/20 0.61
BACE1 P56817 3/20 0.58
ALDH1A1 P00352 6/20 0.53
F2 P00734 4/20 0.53
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL8312689 0.91 MEN1 (0.56) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8307104 0.87 MAPT (0.72) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8311828 0.86 ALDH1A1 (0.65) MEN1KMT2AMAPTTP53BACE1
SCHEMBL8306991 0.86 MEN1 (0.68) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8312026 0.85 ALDH1A1 (0.57) MEN1KMT2AMAPTTP53BACE1
SCHEMBL8311545 0.85 MAPT (0.73) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8307061 0.85 MAPT (0.73) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8307086 0.84 MAPT (0.71) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8308181 0.83 MAPT (0.83) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8306064 0.83 MAPT (0.66) MEN1KMT2AMAPTPOLBTP53

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