SCHEMBL11216772

SCHEMBL11216772

O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
MAOB P27338 1/20 0.62
LMNA P02545 1/20 0.61
AKR1C1 Q04828 1/20 0.60
GLO1 Q04760 1/20 0.58
NFE2L2 Q16236 1/20 0.58
FBP1 P09467 1/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
SNCA P37840 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
S1PR2 O95136 1/20 0.51
HSP90AA1 P07900 1/20 0.51
OPRK1 P41145 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7828363 1.00 MAPT (0.62) MAPTMAOBLMNAAKR1C1GLO1
SCHEMBL7828360 1.00 MAPT (0.62) MAPTMAOBLMNAAKR1C1GLO1
SCHEMBL11222306 0.90 FBP1 (0.62) MAPTMAOBLMNAGLO1NFE2L2
SCHEMBL11222310 0.90 FBP1 (0.62) MAPTMAOBLMNAGLO1NFE2L2
SCHEMBL7813609 0.83 AKR1C1 (0.66) MAPTMAOBAKR1C1ALDH1A1MEN1
SCHEMBL11218795 0.83 AKR1C1 (0.66) MAPTMAOBAKR1C1FBP1ALDH1A1
SCHEMBL11220467 0.83 AKR1C1 (0.66) MAPTMAOBAKR1C1FBP1ALDH1A1
SCHEMBL15777306 0.83 AKR1C1 (0.66) MAPTMAOBAKR1C1ALDH1A1MEN1
SCHEMBL11220464 0.83 AKR1C1 (0.66) MAPTMAOBAKR1C1FBP1ALDH1A1
SCHEMBL28236366 0.83 NFE2L2 (0.63) MAPTMAOBLMNAGLO1NFE2L2

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-4342781-A PREVENTING AND TREATING ALLERGIC BRONCHIAL ASTHMA, RHINITIS AND SKIN DISORDERS PFIZER INC. (US) 1982-08-03 US disclosed