SCHEMBL14951902

SCHEMBL14951902

NC(=O)Cn1c(-c2cc(O)ccc2OCCO)cc(=O)[nH]c1=S

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.60
▸ TPO P07202 1/20 0.59
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ XDH P47989 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL14947165 0.89 MPO (0.59) MPOTPOGAAMAPK1GRIN1
SCHEMBL14947171 0.89 MPO (0.76) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936194 0.87 MPO (0.60) MPOTPOGAAGRIN1GRIN2B
SCHEMBL14936542 0.87 MPO (0.81) MPOTPOGAAMAPK1GRIN1
SCHEMBL14947169 0.83 MPO (0.81) MPOTPOGAAMAPK1GRIN1
SCHEMBL14947166 0.82 MPO (0.59) MPOTPOGRIN1GRIN2BMEN1
SCHEMBL14936590 0.81 MPO (0.81) MPOTPOGAAMAPK1GRIN1
SCHEMBL14947160 0.79 MPO (0.81) MPOTPOGAAMAPK1GRIN1
SCHEMBL14947168 0.77 MPO (0.58) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936647 0.75 MPO (1.00) MPOTPOGAAMAPK1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013068875-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2013-05-16 — — WO disclosed
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