SCHEMBL8304646

SCHEMBL8304646

CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC4CC4)c3c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.76
HTT P42858 2/20 0.76
BACE1 P56817 3/20 0.70
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 1/20 0.54
USP2 O75604 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 1/20 0.53
PKM P14618 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
SCHEMBL8308406 0.99 KDM4E (0.74) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8310903 0.93 KDM4E (0.74) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8312044 0.91 KDM4E (0.79) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8312207 0.90 KDM4E (0.80) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8304350 0.89 KDM4E (0.71) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8308227 0.88 KDM4E (0.84) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8308301 0.87 KDM4E (0.74) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8308901 0.87 KDM4E (0.68) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8312224 0.87 KDM4E (0.85) KDM4EHTTBACE1ALDH1A1KMT2A
SCHEMBL8312227 0.87 KDM4E (0.85) KDM4EHTTBACE1ALDH1A1KMT2A

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