SCHEMBL7313258

SCHEMBL7313258

Cc1ccccc1-c1ccccc1C=C[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
TLR4 O00206 2/20 0.47
TLR2 O60603 2/20 0.47
FBP1 P09467 5/20 0.47
PRMT1 Q99873 1/20 0.46
ALDH1A1 P00352 7/20 0.45
MAPT P10636 7/20 0.45
NPSR1 Q6W5P4 6/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 3/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
TLR9 Q9NR96 2/20 0.45
NPC1 O15118 1/20 0.45
ITGA4 P13612 1/20 0.45
RAB9A P51151 1/20 0.45
CCR6 P51684 2/20 0.42
NTSR1 P30989 2/20 0.42

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
SCHEMBL798355 0.85 RXRA (0.58) RXRATLR4TLR2FBP1PRMT1
SCHEMBL798354 0.85 RXRA (0.58) RXRATLR4TLR2FBP1PRMT1
SCHEMBL497 0.80 FBP1 (0.54) RXRATLR4TLR2FBP1PRMT1
SCHEMBL496 0.80 FBP1 (0.54) RXRATLR4TLR2FBP1PRMT1
SCHEMBL27673733 0.79 FBP1 (0.55) RXRATLR4TLR2FBP1PRMT1
SCHEMBL28594822 0.79 RXRA (0.54) RXRATLR4TLR2FBP1PRMT1
SCHEMBL28204740 0.77 RXRA (0.76) RXRATLR4TLR2FBP1PRMT1
SCHEMBL27947394 0.77 RXRA (0.76) RXRATLR4TLR2FBP1PRMT1
SCHEMBL9357677 0.74 RXRA (0.53) RXRATLR4TLR2FBP1PRMT1
SCHEMBL8613856 0.74 TSHR (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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