SCHEMBL7812644

SCHEMBL7812644

O=[N+]([O-])c1ccc(N2CC(O)C(O)C2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.53
THRB P10828 1/20 0.53
POLB P06746 2/20 0.50
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DPP4 P27487 1/20 0.45
SLC6A5 Q9Y345 3/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A9 P48067 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL7812642 1.00 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7805673 0.91 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL6337155 0.88 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL6337151 0.88 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14480135 0.86 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL6211272 0.85 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29106898 0.84 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL854197 0.83 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7805532 0.83 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29100072 0.82 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMAPTTHRB

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-0788498-B1 PHENYLOXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 2001-08-16 EP disclosed
US-5883093-A TREATING MICROBIAL INFECTIONS IN WARM BLOODED ANIMALS, INCLUDING HUMANS PHARMACIA & UPJOHN COMPANY (US) 1999-03-16 US disclosed
WO-1996013502-A1 PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1996-05-09 WO disclosed