SCHEMBL8312689

SCHEMBL8312689

CCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccco3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.54
PKM P14618 1/20 0.53
TP53 P04637 2/20 0.52
ALDH1A1 P00352 5/20 0.52
F2 P00734 4/20 0.52
BACE1 P56817 2/20 0.51
USP2 O75604 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL8306384 0.91 MEN1 (0.68) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8303993 0.87 TP53 (0.60) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8312249 0.86 MEN1 (0.56) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8304039 0.85 TP53 (0.61) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8307119 0.85 MAPT (0.59) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8311828 0.84 ALDH1A1 (0.65) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL8304143 0.84 MEN1 (0.69) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8307716 0.83 KDM4E (0.65) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8303990 0.83 KDM4E (0.63) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8307022 0.83 MAPT (0.61) MEN1KMT2AMAPTPOLBPKM

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