SCHEMBL7829067

SCHEMBL7829067

O=[N+]([O-])/C=C/c1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 16/20 0.91
TLR4 O00206 2/20 0.70
TLR2 O60603 2/20 0.70
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 1/20 0.66
S1PR4 O95977 1/20 0.66
HSP90AA1 P07900 1/20 0.66
HPGD P15428 1/20 0.66
S1PR1 P21453 1/20 0.66
MAPK1 P28482 1/20 0.66
CCR6 P51684 1/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TLR9 Q9NR96 1/20 0.66
EGFR P00533 1/20 0.64
MAPT P10636 1/20 0.58
VCP P55072 1/20 0.56

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
SCHEMBL7829071 1.00 FBP1 (0.91) FBP1TLR4TLR2ALDH1A1LMNA
SCHEMBL19088017 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL30591 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226357 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226359 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL30590 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL18132133 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL28065845 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL28758634 0.89 FBP1 (0.88) FBP1TLR4TLR2ALDH1A1LMNA
SCHEMBL6910818 0.89 FBP1 (0.78) FBP1TLR4TLR2ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801644-A4 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE POULENC RORER PHARMA (US) 2001-03-07 EP disclosed
EP-0801644-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-10-22 EP disclosed
US-5556990-A SQUALENE SYNTHASE INHIBITORS, ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
WO-1996018615-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed