SCHEMBL4060044

SCHEMBL4060044

O=[N+]([O-])c1ccccc1N1CCCC1CO

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
CUL4A Q13619 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 5/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
AR P10275 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.40
ACHE P22303 1/20 0.40
ENPP2 Q13822 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3435628 1.00 ALDH1A1 (0.47) ALDH1A1LMNACUL4ASMN1; SMN2KMT2A
SCHEMBL29512894 0.96 CUL4A (0.49) ALDH1A1LMNACUL4ASMN1; SMN2KMT2A
SCHEMBL29512840 0.85 KMT2A (0.46) ALDH1A1LMNACUL4ASMN1; SMN2KMT2A
SCHEMBL7968505 0.85 FFAR1 (0.52) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7978124 0.85 FFAR1 (0.52) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7968507 0.85 FFAR1 (0.52) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7034309 0.83 CUL4A (0.46) ALDH1A1LMNACUL4ASMN1; SMN2KMT2A
SCHEMBL7027776 0.83 CUL4A (0.46) ALDH1A1LMNACUL4ASMN1; SMN2KMT2A
SCHEMBL7978483 0.79 SMN1; SMN2 (0.68) ALDH1A1LMNASMN1; SMN2KMT2AAR
SCHEMBL7981185 0.79 SMN1; SMN2 (0.68) ALDH1A1LMNASMN1; SMN2KMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2221256-A None JP disclosed
JP-5058994-A None JP disclosed
EP-2034933-A1 OPHTHALMOLOGICAL COMPOSITION AND USE THEREOF ACRI.TEC AG Gesellschaft Für Ophtalmotologische Productie (DE) 2009-03-18 EP disclosed
WO-2007147599-A1 OPHTHALMOLOGICAL COMPOSITION AND USE THEREOF ACRI.TEC AG GESELLSCHAFT FÜR OPHTALMOTOLOGISCHE PRODUCTE (DE) 2007-12-27 WO disclosed
EP-0828709-B1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS OPTILINK AB (SE) 2002-09-18 EP disclosed
EP-0828709-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS FORSKNINGSCENTER RISO (DK) 1998-03-18 EP disclosed
WO-1996038410-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS Forskningscenter Risø (DK) 1996-12-05 WO disclosed
JP-H0558994-A NITROPHENYLPROLINOL COMPOUND AND NONLINEAR OPTICAL MATERIAL RICOH CO LTD 1993-03-09 JP disclosed
JP-H02221256-A NITROANILINE DERIVATIVE AND POLYMER THEREOF JAPAN ATOM ENERGY RES INST 1990-09-04 JP disclosed