SCHEMBL5031732

SCHEMBL5031732

O=C(O)c1cccc2c1-c1ccccc1C2[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HNF4A P41235 1/20 0.44
MYC P01106 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PPIA P62937 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL1306347 0.77 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30985282 0.77 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3552317 0.73 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL31670439 0.73 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL3552315 0.73 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL3552319 0.73 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL8092638 0.71 HNF4A (0.50) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL9956780 0.71 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL69716 0.69 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1LMNAHNF4A
SCHEMBL70265 0.69 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1LMNAHNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896082-A2 CONJUGATES HAVING A DEGRADABLE LINKAGE AND POLYMERIC REAGENTS USEFUL IN PREPARING SUCH CONJUGATES Nektar Therapeutics AL, Corporation (US) 2008-03-12 EP disclosed
WO-2006138572-A2 CONJUGATES HAVING A DEGRADABLE LINKAGE AND POLYMERIC REAGENTS USEFUL IN PREPARING SUCH CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2006-12-28 WO disclosed