SCHEMBL2043174

SCHEMBL2043174

O=C1CCC(O)CCN1c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 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
SCHEMBL2045727 0.81 KDM4C (0.53) KDM4CTDP1POLBL3MBTL1APEX1
SCHEMBL2628993 0.78 L3MBTL1 (0.53) KDM4CTDP1POLBL3MBTL1APEX1
SCHEMBL2039662 0.76 L3MBTL1 (0.47) KDM4CTDP1POLBL3MBTL1APEX1
SCHEMBL2036931 0.76 HPGD (0.55) TDP1POLBL3MBTL1APEX1RECQL
SCHEMBL2037416 0.75 L3MBTL1 (0.46) KDM4CTDP1POLBL3MBTL1APEX1
SCHEMBL2037378 0.71 HPGD (0.53) L3MBTL1ALDH1A1HPGDHSD17B10NPC1
SCHEMBL29135322 0.71 TDP1 (0.51) KDM4CTDP1POLBL3MBTL1APEX1
SCHEMBL7624260 0.71 TDP1 (0.51) KDM4CTDP1POLBL3MBTL1APEX1
SCHEMBL7624256 0.71 TDP1 (0.51) KDM4CTDP1POLBL3MBTL1APEX1
SCHEMBL7624265 0.71 TDP1 (0.51) KDM4CTDP1POLBL3MBTL1APEX1

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