SCHEMBL10959345

SCHEMBL10959345

COc1ncc(N(S)C(N)=O)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.41
ACACB O00763 2/20 0.35
POLB P06746 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
CYP1A2 P05177 2/20 0.31
FAAH O00519 1/20 0.31
CES1 P23141 1/20 0.31
NNMT P40261 1/20 0.31
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 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
SCHEMBL11061481 0.89 PLAU (0.33) PLAUACACBGABRG2GABRB3GABRA2
SCHEMBL11058688 0.85 POLB (0.35) POLBSIRT6NNMT
SCHEMBL11060720 0.84 CYP3A4 (0.36) PLAUACACBGABRG2GABRB3GABRA2
SCHEMBL11059949 0.79 ACACB (0.33) ACACB
SCHEMBL11061001 0.79 MEN1 (0.35) ACACB
SCHEMBL11058669 0.77 GPBAR1 (0.33) SIRT6NNMT
SCHEMBL11062631 0.76 PLAU (0.37) PLAUSIRT6NNMTPIK3CA
SCHEMBL11062615 0.76 POLB (0.33) PLAUPOLB
SCHEMBL6317506 0.74 QPCT (0.35) PLAUACACBQPCTQPCTLCYP1A2
SCHEMBL3192298 0.72 NNMT (0.47) PLAUACACBPOLBSIRT6NNMT

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
EP-0039037-B1 PYRIMIDYLTHIO-UREAS, MEDICINES CONTAINING THEM AND THEIR USE Beiersdorf Aktiengesellschaft (DE) 1985-01-16 EP claimed
US-4434167-A Pyrimidyl thioureas useful for the treatment of hypertension and hyperlipidemia BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-02-28 US disclosed
US-4323570-A HYPOTENSIVE AGENTS AND TREATING GLAUCOMA BEIERSDORF AKTIENGESELLSCHAFT (DE) 1982-04-06 US disclosed