SCHEMBL2035758

SCHEMBL2035758

O=C(O)C1CC1c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GPR88 Q9GZN0 1/20 0.42
KDM4C Q9H3R0 1/20 0.38
SCN3A Q9NY46 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
FFAR1 O14842 3/20 0.36
NR4A2 P43354 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL2038839 0.84 GPR88 (0.42) KDM4EGPR88SCN3AMEN1HTT
SCHEMBL2035875 0.78 KDM4E (0.40) KDM4EGPR88KDM4CMEN1HTT
SCHEMBL1994249 0.77 KDM4E (0.42) KDM4EGPR88KDM4CMEN1HTT
SCHEMBL2039087 0.77 KDM4E (0.48) KDM4EGPR88KDM4CMEN1HTT
SCHEMBL2046508 0.72 KDM4E (0.37) KDM4EKDM4CMEN1HTTKMT2A
SCHEMBL2037647 0.72 KDM4E (0.47) KDM4EKDM4CMEN1HTTKMT2A
SCHEMBL2014210 0.72 KDM4E (0.43) KDM4EKDM4CMEN1HTTKMT2A
SCHEMBL3433946 0.72 SLC1A2 (0.40) KDM4EKDM4CMEN1KMT2AALDH1A1
SCHEMBL20656877 0.71
SCHEMBL9278938 0.71

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-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed