SCHEMBL13754218

SCHEMBL13754218

Nc1ccc(CN2C(=O)S/C(=C\c3ccc(O)c(C(F)(F)F)c3)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.64
▸ PTPN1 P18031 4/20 0.56
▸ ACP1 P24666 4/20 0.56
▸ PIM1 P11309 1/20 0.52
▸ ENPP2 Q13822 3/20 0.49
▸ NLRP3 Q96P20 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP3 P42574 1/20 0.47

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
SCHEMBL1614982 0.89 SLC2A1 (0.66) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL2171659 0.89 SLC2A1 (0.66) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL2171655 0.89 SLC2A1 (0.66) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL1614307 0.89 SLC2A1 (0.66) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL1615013 0.88 SLC2A1 (0.66) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL2175486 0.87 SLC2A1 (0.61) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL12406497 0.87 SLC2A1 (0.61) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL2175489 0.87 SLC2A1 (0.61) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL2173155 0.85 PTPN1 (0.60) SLC2A1PTPN1ACP1PIM1ENPP2
SCHEMBL12406539 0.85 PTPN1 (0.60) SLC2A1PTPN1ACP1PIM1ENPP2

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-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — WO disclosed
Send feedback