SCHEMBL8701801

SCHEMBL8701801

[CH2]c1cccc([N+](=O)[O-])c1Oc1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.65
HSPB1 P04792 1/20 0.47
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL31470065 0.82 HPGD (0.65) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL9266291 0.79 HPGD (1.00) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL7092018 0.77 HPGD (0.56) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL6748042 0.73 HPGD (0.69) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL6284450 0.73 TDP1 (0.52) HSPB1ALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL11147387 0.73 HPGD (0.64) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL11229678 0.72 HPGD (0.55) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL7416255 0.72 HPGD (0.51) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL2326248 0.72 MAPT (0.64) HPGDHSPB1ALDH1A1L3MBTL1MEN1
SCHEMBL9816756 0.72 HPGD (0.58) HPGDHSPB1ALDH1A1L3MBTL1MEN1

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
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed