SCHEMBL7313253

SCHEMBL7313253

Cc1cccc(-c2ccccc2)c1C=C[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.47
FBP1 P09467 7/20 0.47
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.41
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR6 P51684 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
RXRA P19793 1/20 0.41
TLR4 O00206 4/20 0.40
TLR2 O60603 4/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL5733864 0.83 HSP90AA1 (0.60) HSP90AA1FBP1ALDH1A1TDP1LMNA
SCHEMBL5733870 0.83 HSP90AA1 (0.60) HSP90AA1FBP1ALDH1A1TDP1LMNA
SCHEMBL6548166 0.76 KDM4E (0.40) ALDH1A1TDP1LMNAHPGDMAPK1
SCHEMBL27673733 0.75 FBP1 (0.55) HSP90AA1FBP1ALDH1A1TDP1MEN1
SCHEMBL30404870 0.74 KDM4E (0.45) ALDH1A1MEN1LMNAHPGDKMT2A
SCHEMBL309416 0.74 KDM4E (0.45) ALDH1A1MEN1LMNAHPGDKMT2A
SCHEMBL21981692 0.73 MAOA (0.55) LMNAHPGDSMN1; SMN2NPSR1TLR4
SCHEMBL21981693 0.73 MAOA (0.55) LMNAHPGDSMN1; SMN2NPSR1TLR4
SCHEMBL7313258 0.72 RXRA (0.51) HSP90AA1FBP1ALDH1A1MEN1S1PR4
SCHEMBL27463129 0.72 KDM4E (0.42) ALDH1A1TDP1LMNAHPGDMAPK1

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
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed