SCHEMBL19788151

SCHEMBL19788151

COc1ccc(-c2cc(=O)[nH]c(=S)n2CCC(O)O)c(OC)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.78
▸ TPO P07202 1/20 0.46
▸ GAA P10253 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ NTSR1 P30989 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ NR4A2 P43354 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
SCHEMBL14936245 0.88 MPO (1.00) MPOTPOGAAMAPK1KDM4E
SCHEMBL14936759 0.87 MPO (0.71) MPOTPOGAAMAPK1KDM4E
SCHEMBL14937141 0.86 MPO (0.87) MPOTPOGAAMAPK1KDM4E
SCHEMBL14936986 0.86 MPO (0.72) MPOTPOGAAMAPK1KDM4E
SCHEMBL14936162 0.85 MPO (1.00) MPOTPOGAAMAPK1KDM4E
SCHEMBL14937034 0.85 MPO (0.80) MPOTPOGAAMAPK1KDM4E
SCHEMBL14936753 0.85 MPO (0.82) MPOTPOGAAMAPK1KDM4E
SCHEMBL14936613 0.85 MPO (0.85) MPOTPOGAAMAPK1KDM4E
SCHEMBL14936368 0.85 MPO (0.78) MPOTPOGAAMAPK1KDM4E
Hydrochloric Acid SCHEMBL14936491 0.84 MPO (0.98) MPOTPOGAAMAPK1KDM4E

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
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 — — US disclosed
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