SCHEMBL4383897

SCHEMBL4383897

O=[N+]([O-])c1ccc(N2CCCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
AKR1C3 P42330 1/20 0.64
LMNA P02545 1/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
BLM P54132 1/20 0.60
ALDH1A1 P00352 3/20 0.58
SIRT6 Q8N6T7 2/20 0.58
POLB P06746 2/20 0.58
ADRB1 P08588 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
MEN1 O00255 2/20 0.56
MAPK1 P28482 2/20 0.56
IDE P14735 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL85548 0.93 AKR1C3 (0.71) MAPTAKR1C3LMNAKDM4EGAA
SCHEMBL19221687 0.89 MAPT (0.65) MAPTAKR1C3LMNAKDM4EGAA
SCHEMBL378458 0.86 MAPT (0.96) MAPTAKR1C3LMNAGAAALDH1A1
SCHEMBL1851861 0.86 MAPT (0.89) MAPTAKR1C3LMNAGAAALDH1A1
SCHEMBL5123709 0.85 MAPT (0.52) MAPTAKR1C3KDM4EGAABLM
SCHEMBL7048817 0.84 MAPT (0.85) MAPTAKR1C3LMNAGAAALDH1A1
SCHEMBL85552 0.84 MAPT (1.00) MAPTAKR1C3LMNAGAAALDH1A1
SCHEMBL6607374 0.84 MAPT (1.00) MAPTAKR1C3LMNAGAAALDH1A1
SCHEMBL223626 0.84 MAPT (1.00) MAPTAKR1C3LMNAGAAALDH1A1
SCHEMBL9647832 0.84 MITF (0.70) MAPTAKR1C3KDM4EGAABLM

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-1899331-B1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2009-11-25 EP disclosed
EP-1899331-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-19 EP disclosed
WO-2007000644-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-04 WO disclosed