SCHEMBL8304042

SCHEMBL8304042

CCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC3=CCCCC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
POLB P06746 2/20 0.62
TP53 P04637 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
BACE1 P56817 3/20 0.54
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8304419 0.86 MAPT (0.83) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8304143 0.86 MEN1 (0.69) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8305819 0.86 BACE1 (0.61) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8312231 0.85 BACE1 (0.62) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8311329 0.85 BACE1 (0.62) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8303994 0.84 KMT2A (0.63) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8303990 0.83 KDM4E (0.63) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8307716 0.83 KDM4E (0.65) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8307118 0.82 KDM4E (0.67) MAPTPOLBTP53MEN1KMT2A
SCHEMBL8312056 0.82 KDM4E (0.67) 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