SCHEMBL16137199

SCHEMBL16137199

O=C(CCCOP)c1cnc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 7/20 0.34
▸ THRA P10827 2/20 0.34
▸ MAPT P10636 1/20 0.31
▸ NNMT P40261 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL12343371 0.73 MEN1 (0.47) THRBMEN1KMT2A
SCHEMBL20073627 0.73 NNMT (0.40) MAPTNNMTMEN1KMT2A
SCHEMBL26874288 0.73 GSK3B (0.37) NNMT
SCHEMBL29947373 0.73 NNMT (0.40) MAPTNNMTMEN1KMT2A
SCHEMBL24805156 0.72 L3MBTL1 (0.40) MAPTNNMTMEN1KMT2A
SCHEMBL16333365 0.69 NNMT (0.42) MAPTNNMTMEN1KMT2A
SCHEMBL28662886 0.69 NNMT (0.42) MAPTNNMTMEN1KMT2A
SCHEMBL29577063 0.69 NNMT (0.42) MAPTNNMTMEN1KMT2A
SCHEMBL30696900 0.69 NNMT (0.37) NNMT
SCHEMBL625580 0.68 SMN1; SMN2 (0.47) NNMTMEN1KMT2A

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
EP-2784078-A1 Benzoxepin pi3k inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-10-01 — — EP disclosed
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