SCHEMBL2876972

SCHEMBL2876972

COC(=O)Oc1sc(-c2ccccc2)cc1NC1CCSCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 8/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.38
IKBKB O14920 4/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
POLB P06746 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL2874583 0.88 CHEK1 (0.46) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2879621 0.87 MKNK1 (0.45) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2878830 0.83 ALDH1A1 (0.42) KDM4EHTTATMMAPTALDH1A1
SCHEMBL5728485 0.82 ALDH1A1 (0.41) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2870746 0.81 KDM4E (0.64) KDM4EHTTATMMAPTALDH1A1
SCHEMBL5430057 0.74 CNR2 (0.55) KDM4EHTTATMMAPTALDH1A1
SCHEMBL3807534 0.74 KDM4E (0.58) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2158012 0.73 KDM4E (0.70) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2158406 0.71 KDM4E (0.65) KDM4EHTTATMMAPTALDH1A1
SCHEMBL13093718 0.69 KDM4E (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed