SCHEMBL2053535

SCHEMBL2053535

O=C(Oc1nccs1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBBP9 O75884 1/20 0.53
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 4/20 0.41
ELANE P08246 1/20 0.40
EPHX2 P34913 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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 0.92 RBBP9 (0.43) RBBP9KMT2ASMN1; SMN2HTTTDP1
SCHEMBL2053769 0.79 MIF (0.39) RBBP9KMT2AHTTTDP1TSHR
SCHEMBL22412719 0.77 MEN1 (0.56) KMT2ATSHRMEN1HPGD
SCHEMBL27451607 0.76 ADORA2A (0.36) RBBP9KMT2ATSHRMEN1ELANE
SCHEMBL30678676 0.74 KMT2A (0.43) RBBP9KMT2ASMN1; SMN2HTTTDP1
SCHEMBL27852103 0.73 ALDH1A1 (0.43) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL27478065 0.73 ALDH1A1 (0.43) KMT2ASMN1; SMN2HTTTSHRMEN1
SCHEMBL31111632 0.72 ALDH1A1 (0.51) KMT2ASMN1; SMN2HTTTDP1TSHR
SCHEMBL2050164 0.72 ALDH1A1 (0.51) KMT2ASMN1; SMN2HTTTDP1TSHR
SCHEMBL13739398 0.72 RBBP9 (0.48) RBBP9KMT2ASMN1; SMN2HTTTSHR

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