SCHEMBL14941196

SCHEMBL14941196

Cc1nc(C)c([N+](=O)[O-])c(-c2ccccc2C(F)(F)F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
KMO O15229 2/20 0.41
EIF4E P06730 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CRHR1 P34998 1/20 0.38
HSD11B1 P28845 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
PRNP P04156 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
SCHEMBL904650 0.87 LDHA (0.46) LDHAALDH1A1HPGDCRHR1SMN1; SMN2
SCHEMBL6956083 0.78 MEN1 (0.50) LDHAKMOALDH1A1HPGDHSD11B1
SCHEMBL8917084 0.75 LDHA (0.40) LDHAEIF4EALDH1A1CRHR1SMN1; SMN2
SCHEMBL6956134 0.74 TDP1 (0.53) EIF4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL6956189 0.74 TDP1 (0.53) EIF4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL9280995 0.74 KMT2A (0.41) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL14472097 0.73 PARP1 (0.38) LDHAKMOEIF4EALDH1A1CRHR1
SCHEMBL28059882 0.73 ALDH1A1 (0.56) KMOALDH1A1HPGDHSD11B1MAPT
SCHEMBL9281258 0.72 L3MBTL1 (0.51) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL9279745 0.72 KDM4E (0.45) EIF4EALDH1A1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014074517-A1 CELLULAR COMPOSITIONS USED TO RESTORE STEM CELL OR PROGENITOR CELL FUNCTION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-05-15 WO claimed
WO-2013070852-A2 COMPOUNDS AND COMPOSITIONS USED TO EPIGENETICALLY TRANSFORM CELLS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-05-16 WO claimed
WO-2020167886-A1 METHODS OF MANAGING VASCULAR CONDITIONS AND DIABETIC PERIPHERAL NEUROPATHIES EMORY UNIVERSITY (US) 2020-08-20 WO disclosed
WO-2014074517-A1 CELLULAR COMPOSITIONS USED TO RESTORE STEM CELL OR PROGENITOR CELL FUNCTION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-05-15 WO disclosed