SCHEMBL2053769

SCHEMBL2053769

O=C(Oc1nccs1)C1CC=CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
RBBP9 O75884 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30

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
SCHEMBL2052250 0.83 RBBP9 (0.43) RBBP9HTTMEN1KMT2AALDH1A1
SCHEMBL2053535 0.79 RBBP9 (0.53) RBBP9HTTMEN1KMT2AMAPT
SCHEMBL30186722 0.70 MIF (0.39) MIFHTTMEN1KMT2AALDH1A1
SCHEMBL28963579 0.70 MIF (0.39) MIFHTTMEN1KMT2AALDH1A1
SCHEMBL27451607 0.69 ADORA2A (0.36) RBBP9MEN1KMT2ATSHREPHX2
SCHEMBL27478065 0.69 ALDH1A1 (0.43) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL27852103 0.69 ALDH1A1 (0.43) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL11536892 0.69 MIF (0.47) MIFHTTMEN1KMT2AALDH1A1
SCHEMBL472074 0.68 ELANE (0.51) MIFHTTMEN1KMT2AALDH1A1
SCHEMBL27730899 0.67 MIF (0.46) MIFHTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706853-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 EP disclosed
WO-2012154519-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO 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