SCHEMBL8311536

SCHEMBL8311536

CC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCN(c4ccccc4F)CC3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
MAPT P10636 4/20 0.64
POLB P06746 1/20 0.64
BACE1 P56817 3/20 0.61
TP53 P04637 2/20 0.60
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL8306379 0.96 KMT2A (0.80) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305766 0.90 KMT2A (0.89) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305903 0.89 MEN1 (0.91) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305862 0.88 KMT2A (0.75) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8304657 0.87 BACE1 (0.63) MEN1KMT2AMAPTBACE1TP53
SCHEMBL8306063 0.87 BACE1 (0.63) MEN1KMT2AMAPTBACE1TP53
SCHEMBL8305999 0.84 MEN1 (1.00) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8306046 0.84 BACE1 (0.84) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8305899 0.84 MEN1 (0.79) MEN1KMT2AMAPTPOLBBACE1
SCHEMBL8308801 0.84 BACE1 (0.69) MEN1KMT2AMAPTBACE1TP53

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