SCHEMBL2052250

SCHEMBL2052250

O=C(Oc1nccs1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBBP9 O75884 1/20 0.43
NPC1 O15118 1/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
ELANE P08246 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2053535 0.92 RBBP9 (0.53) RBBP9KMT2AHTTSMN1; SMN2TDP1
SCHEMBL2053769 0.83 MIF (0.39) RBBP9NPC1KMT2AHTTTDP1
SCHEMBL27451607 0.77 ADORA2A (0.36) RBBP9KMT2AMEN1ELANEEPHX2
SCHEMBL27478065 0.77 ALDH1A1 (0.43) NPC1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL27852103 0.77 ALDH1A1 (0.43) NPC1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL2041342 0.74 PKM (0.42) NPC1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3559527 0.73
SCHEMBL5086027 0.73
SCHEMBL28140898 0.73
SCHEMBL1633629 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858767-A Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME 2013-01-02 CN disclosed
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