SCHEMBL3842913

SCHEMBL3842913

CN(C(=O)C(C)(C)C)c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL3161028 0.81 KDM4E (0.41) KDM4EALDH1A1TSHRPOLB
SCHEMBL3176785 0.76
SCHEMBL16774583 0.71 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL11354719 0.71 KDM4E (0.42) KDM4EALDH1A1TSHR
SCHEMBL28517018 0.68 KDM4E (0.39) KDM4EALDH1A1TSHR
SCHEMBL19318513 0.68 POLB (0.59) ALDH1A1TSHRPOLB
SCHEMBL28358210 0.68 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL16287666 0.68 KDM4E (0.40) KDM4EALDH1A1TSHR
SCHEMBL7281160 0.67 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL16178136 0.67 KDM4E (0.47) KDM4EALDH1A1TSHR

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-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed