SCHEMBL7313249

SCHEMBL7313249

CC1(/C=C/[N+](=O)[O-])C=CC=CC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
S1PR4 O95977 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TLR4 O00206 1/20 0.31
TLR2 O60603 1/20 0.31

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
SCHEMBL526599 0.72 KCNA4 (0.38) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL16429623 0.69 MEN1 (0.35) MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL9537044 0.69 MEN1 (0.35) FBP1MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL3992251 0.68 KDM1A (0.36) ALDH1A1
SCHEMBL1153469 0.67 KDM1A (0.44)
SCHEMBL11038726 0.66 SLC9A1 (0.33) ALDH1A1HPGDMAPT
SCHEMBL9539166 0.66 MEN1 (0.35) MEN1KMT2ACYP2C19
SCHEMBL13818654 0.65 KDM1A (0.34)
SCHEMBL20017698 0.65 HTR2A (0.35)
SCHEMBL11266183 0.65 KDM1A (0.34)

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