SCHEMBL8308219

SCHEMBL8308219

CCC(C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc12

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
HTT P42858 2/20 0.72
BACE1 P56817 3/20 0.65
MAPT P10636 1/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL8308903 0.91 TP53 (0.62) KDM4EHTTBACE1MAPTTP53
SCHEMBL8308301 0.91 KDM4E (0.74) KDM4EHTTBACE1MAPTTP53
SCHEMBL8312492 0.90 TP53 (0.63) KDM4EHTTBACE1MAPTTP53
SCHEMBL8312032 0.90 TP53 (0.63) KDM4EHTTBACE1MAPTTP53
SCHEMBL8311992 0.90 KDM4E (0.58) KDM4EHTTBACE1MAPTTP53
SCHEMBL8306905 0.88 KDM4E (0.65) KDM4EHTTBACE1TP53KMT2A
SCHEMBL8304648 0.87 KDM4E (0.65) KDM4EHTTBACE1MAPTTP53
SCHEMBL8308894 0.86 KDM4E (0.70) KDM4EHTTBACE1MAPTTP53
SCHEMBL8305989 0.85 MEN1 (0.68) KDM4EHTTBACE1MAPTTP53
SCHEMBL8304646 0.84 KDM4E (0.76) KDM4EHTTBACE1MAPTTP53

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