SCHEMBL28459199

SCHEMBL28459199

O=[N+]([O-])c1ccccc1Oc1cc(F)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.71
L3MBTL1 Q9Y468 3/20 0.54
GAA P10253 1/20 0.53
HSPB1 P04792 4/20 0.51
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 2/20 0.45
ESR2 Q92731 1/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 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
SCHEMBL3039145 0.88 HPGD (0.71) HPGDL3MBTL1GAAHSPB1MEN1
SCHEMBL16296010 0.86 HPGD (0.73) HPGDL3MBTL1GAAHSPB1MEN1
SCHEMBL9266291 0.84 HPGD (1.00) HPGDL3MBTL1GAAHSPB1MEN1
SCHEMBL1341961 0.81 HSPB1 (0.75) HPGDL3MBTL1GAAHSPB1ALDH1A1
SCHEMBL1340661 0.81 L3MBTL1 (0.74) HPGDL3MBTL1GAAHSPB1MEN1
SCHEMBL7019837 0.80 HPGD (0.60) HPGDL3MBTL1GAAHSPB1MEN1
SCHEMBL8812343 0.80 TDP1 (0.62) HPGDL3MBTL1GAAHSPB1MEN1
SCHEMBL14570718 0.80 VCAM1 (0.56) HPGDHSPB1MEN1KMT2ATDP1
SCHEMBL39472 0.80 HPGD (0.78) HPGDL3MBTL1GAAHSPB1MEN1
SCHEMBL3547648 0.78 HSPB1 (0.64) HPGDL3MBTL1GAAHSPB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111635436-A Fluorine-containing substituted metal complex 北京夏禾科技有限公司 2020-09-08 CN disclosed