SCHEMBL8307119

SCHEMBL8307119

CCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccccc3Cl)c2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
BACE1 P56817 3/20 0.53
TP53 P04637 2/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL8307086 0.91 MAPT (0.71) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8303993 0.89 TP53 (0.60) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8307022 0.89 MAPT (0.61) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8308161 0.86 LMNA (0.68) MAPTLMNAALDH1A1HTTRXFP1
SCHEMBL8311830 0.85 MAPT (0.68) MAPTLMNAALDH1A1HTTRXFP1
SCHEMBL8304039 0.85 TP53 (0.61) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8312689 0.85 MEN1 (0.56) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8312249 0.85 MEN1 (0.56) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL8305689 0.84 LMNA (0.69) MAPTLMNAALDH1A1HTTRXFP1
SCHEMBL8304143 0.84 MEN1 (0.69) MAPTPOLBMEN1KMT2ALMNA

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