SCHEMBL4383340

SCHEMBL4383340

O=[N+]([O-])c1cc(F)c(N2CCCOCC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
KCNJ1 P48048 1/20 0.41
PDE3B Q13370 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
SCHEMBL3513303 0.94 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL28196822 0.86 ALDH1A1 (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL18876391 0.84 MAPT (0.51) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL4379208 0.82 ALDH1A1 (0.63) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL4377762 0.82 MAPT (0.59) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL5123709 0.80 MAPT (0.52) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL18396739 0.79 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2D6
SCHEMBL4248209 0.77 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2C9CYP2D6
SCHEMBL28980384 0.76 ALDH1A1 (0.44) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4387010 0.76 MAOA (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP3A4

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