SCHEMBL7829071

SCHEMBL7829071

O=[N+]([O-])C=Cc1ccc(C=Cc2ccccc2)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
SCHEMBL7829067 1.00 FBP1 (0.91) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL28065845 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL18132133 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL30590 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
SCHEMBL19088017 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL30591 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226359 0.96 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226357 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
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