SCHEMBL8307719

SCHEMBL8307719

CCC(C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3CC)cc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
PKM P14618 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 4/20 0.54
TP53 P04637 2/20 0.52
BACE1 P56817 3/20 0.51
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8305989 0.91 MEN1 (0.68) POLBMEN1KMT2AMAPTTP53
SCHEMBL8306930 0.88 POLB (0.66) POLBPKMMEN1KMT2AMAPT
SCHEMBL8307716 0.87 KDM4E (0.65) POLBPKMMEN1KMT2AMAPT
SCHEMBL8303990 0.87 KDM4E (0.63) POLBPKMMEN1KMT2AMAPT
SCHEMBL8303994 0.87 KMT2A (0.63) POLBPKMMEN1KMT2AMAPT
SCHEMBL8307118 0.86 KDM4E (0.67) POLBPKMMEN1KMT2AMAPT
SCHEMBL8312056 0.86 KDM4E (0.67) POLBPKMMEN1KMT2AMAPT
SCHEMBL8307121 0.86 KDM4E (0.67) POLBPKMMEN1KMT2AMAPT
SCHEMBL8308903 0.86 TP53 (0.62) POLBPKMMEN1KMT2AMAPT
SCHEMBL8312492 0.85 TP53 (0.63) POLBPKMMEN1KMT2AMAPT

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