SCHEMBL5011271

SCHEMBL5011271

O=C(Nc1ccc(-c2ccc(C(O)C(F)F)c(F)c2)cc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.51
NAMPT P43490 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
MDM2 Q00987 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN2 P17706 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL5011692 0.82 PTPN1 (0.58) PTPN1NAMPTKMT2AMEN1LMNA
SCHEMBL5011831 0.79 PTPN1 (0.48) PTPN1NAMPTKMT2AMEN1LMNA
SCHEMBL5011739 0.77 DHODH (0.49) PTPN1NAMPTKMT2AMEN1LMNA
SCHEMBL5011675 0.76 PTPN1 (0.47) PTPN1NAMPTKMT2AMEN1LMNA
SCHEMBL17236521 0.75 PTPN1 (0.55) PTPN1NAMPTKMT2AMEN1LMNA
SCHEMBL12341489 0.74 NAMPT (0.51) NAMPTKMT2AMEN1LMNAMAPT
SCHEMBL5014676 0.73 PTPN1 (0.56) PTPN1NAMPTKMT2AMEN1LMNA
SCHEMBL14734057 0.70 KMT2A (0.78) PTPN1NAMPTKMT2AMEN1LMNA
SCHEMBL12344126 0.70 NPSR1 (0.63) NAMPTKMT2AMEN1LMNAMAPT
SCHEMBL13060097 0.70 NPSR1 (0.63) NAMPTKMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP claimed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO claimed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO disclosed