SCHEMBL8312249

SCHEMBL8312249

CCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3cccs3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

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
LMNA P02545 2/20 0.51
BACE1 P56817 3/20 0.51
ALDH1A1 P00352 2/20 0.51
F2 P00734 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HTT P42858 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
SCHEMBL8306991 0.91 MEN1 (0.68) MEN1KMT2AMAPTPOLBTP53
SCHEMBL8303993 0.87 TP53 (0.60) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8312689 0.86 MEN1 (0.56) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8305995 0.85 TP53 (0.66) MAPTPOLBTP53LMNABACE1
SCHEMBL8304039 0.85 TP53 (0.61) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8307119 0.85 MAPT (0.59) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8312641 0.84 TP53 (0.68) MAPTPOLBTP53LMNABACE1
SCHEMBL8304143 0.84 MEN1 (0.69) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8307716 0.83 KDM4E (0.65) MEN1KMT2AMAPTPOLBPKM
SCHEMBL8303990 0.83 KDM4E (0.63) 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