SCHEMBL8308301

SCHEMBL8308301

CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC(C)C)c3c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
HTT P42858 2/20 0.74
BACE1 P56817 3/20 0.69
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL8312639 0.91 TP53 (0.64) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8308219 0.91 KDM4E (0.72) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8309383 0.90 TP53 (0.66) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8305803 0.90 KDM4E (0.60) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8308894 0.89 KDM4E (0.70) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8304646 0.87 KDM4E (0.76) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8308406 0.86 KDM4E (0.74) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8304350 0.86 KDM4E (0.71) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8304648 0.85 KDM4E (0.65) KDM4EHTTBACE1MEN1KMT2A
SCHEMBL8305987 0.85 MEN1 (0.70) KDM4EHTTBACE1MEN1KMT2A

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