SCHEMBL10535971

SCHEMBL10535971

Cc1ccc(-c2ccccc2)c(C=C[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.50
HPRT1 P00492 1/20 0.47
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 5/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.45
TLR4 O00206 4/20 0.43
TLR2 O60603 4/20 0.43
RXRA P19793 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PSMD14 O00487 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSP90AA1 P07900 2/20 0.40
CCR6 P51684 2/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL10535968 1.00 FBP1 (0.50) FBP1HPRT1ALDH1A1NPSR1LMNA
SCHEMBL496 0.81 FBP1 (0.54) FBP1HPRT1ALDH1A1NPSR1LMNA
SCHEMBL497 0.81 FBP1 (0.54) FBP1HPRT1ALDH1A1NPSR1LMNA
SCHEMBL27673733 0.80 FBP1 (0.55) FBP1ALDH1A1NPSR1LMNAMAPT
SCHEMBL4851358 0.75 PSMB5 (0.46) HPRT1ALDH1A1NPSR1LMNAMAPT
SCHEMBL16520429 0.74 FBP1 (0.52) FBP1ALDH1A1NPSR1LMNAMAPT
SCHEMBL29273221 0.74 FBP1 (0.53) FBP1ALDH1A1NPSR1LMNAMAPT
SCHEMBL458434 0.74 FBP1 (0.53) FBP1ALDH1A1NPSR1LMNAMAPT
SCHEMBL458238 0.74 FBP1 (0.53) FBP1ALDH1A1NPSR1LMNAMAPT
SCHEMBL14089427 0.74 LMNA (0.40) ALDH1A1NPSR1LMNAMAPTL3MBTL1

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
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed