SCHEMBL14291007

SCHEMBL14291007

COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 7/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL2874974 0.90 KDM4E (0.52) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2874975 0.90 KDM4E (0.52) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2244516 0.90 CYP2E1 (0.40) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2878974 0.90 KDM4E (0.51) KDM4EHTTATMMAPTALDH1A1
SCHEMBL323707 0.89 KDM4E (0.50) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2425688 0.89 KDM4E (0.50) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2430637 0.89 KDM4E (0.50) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2879122 0.89 KDM4E (0.50) KDM4EHTTATMMAPTALDH1A1
SCHEMBL14030859 0.88 KDM4E (0.46) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2876904 0.88 KDM4E (0.46) KDM4EHTTATMMAPTALDH1A1

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-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed