SCHEMBL8307716

SCHEMBL8307716

CCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CCCC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
POLB P06746 2/20 0.60
PKM P14618 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 3/20 0.59
TP53 P04637 2/20 0.56
BACE1 P56817 3/20 0.55
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL8307118 0.99 KDM4E (0.67) KDM4EPOLBPKMMEN1KMT2A
SCHEMBL8312056 0.99 KDM4E (0.67) KDM4EPOLBPKMMEN1KMT2A
SCHEMBL8307121 0.99 KDM4E (0.67) KDM4EPOLBPKMMEN1KMT2A
SCHEMBL8303990 0.98 KDM4E (0.63) KDM4EPOLBPKMMEN1KMT2A
SCHEMBL8304143 0.89 MEN1 (0.69) KDM4EPOLBPKMMEN1KMT2A
SCHEMBL8311534 0.88 MEN1 (0.56) KDM4EPOLBPKMMEN1KMT2A
SCHEMBL8307091 0.88 MEN1 (0.73) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL8306930 0.88 POLB (0.66) KDM4EPOLBPKMMEN1KMT2A
SCHEMBL8307053 0.87 MEN1 (0.74) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL8303994 0.87 KMT2A (0.63) KDM4EPOLBPKMMEN1KMT2A

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