SCHEMBL8306007

SCHEMBL8306007

O=[N+]([O-])c1cc(F)cc(F)c1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
CTSB P07858 1/20 0.43
RAC1 P63000 1/20 0.43

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
SCHEMBL6511388 0.82 MAPT (0.57) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30206335 0.82 MAPT (0.57) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3513303 0.80 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29512659 0.79 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10473548 0.79 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3984049 0.79 CYP1A2 (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10472568 0.78 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10472827 0.78 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4377762 0.77 MAPT (0.59) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17131823 0.77 MAPT (0.72) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717738-B1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 1999-10-20 EP disclosed
US-5880118-A Substituted oxazine and thiazine oxazolidinone antimicrobials PHARMACIA & UPJOHN COMPANY (US) 1999-03-09 US disclosed
US-5688792-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-11-18 US disclosed
EP-0717738-A1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1996-06-26 EP disclosed
WO-1995007271-A1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS THE UPJOHN COMPANY (US) 1995-03-16 WO disclosed