SCHEMBL4705178

SCHEMBL4705178

O=C1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.38
HIF1A Q16665 2/20 0.38
POLB P06746 2/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
THRB P10828 1/20 0.35
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL239465 0.83 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAHIF1APOLB
SCHEMBL5371824 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAHIF1APOLB
SCHEMBL3039837 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAHIF1APOLB
SCHEMBL18876391 0.79 MAPT (0.51) ALDH1A1KMT2ALMNAPOLBMAPT
SCHEMBL28980384 0.77 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAHIF1APOLB
SCHEMBL4705323 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAHIF1APOLB
SCHEMBL4707290 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAHIF1APOLB
SCHEMBL2450512 0.76 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL18883937 0.76 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAHIF1APOLB
SCHEMBL22471423 0.76 MAPT (0.59) ALDH1A1KMT2ALMNAPOLBMAPT

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-1902048-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-26 EP disclosed
WO-2007004037-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed
WO-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed