SCHEMBL4400521

SCHEMBL4400521

O=[N+]([O-])C=Cn1cccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.37
HSP90AA1 P07900 2/20 0.33
VCP P55072 2/20 0.31
RXRA P19793 1/20 0.31
EGFR P00533 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MITF O75030 1/20 0.30
NTSR1 P30989 1/20 0.30
MC4R P32245 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL11385027 0.72 CYP19A1 (0.33) FBP1VCP
SCHEMBL17846246 0.67 VCP (0.33) FBP1VCP
SCHEMBL17846244 0.67 VCP (0.33) FBP1VCP
SCHEMBL6851679 0.67 MITF (0.35) FBP1HSP90AA1VCPALDH1A1MAPT
SCHEMBL5957000 0.64
SCHEMBL2701677 0.64
SCHEMBL28143178 0.64 FBP1 (0.41) FBP1HSP90AA1VCPEGFRALDH1A1
Benzene SCHEMBL28065160 0.60 FBP1 (0.46) FBP1HSP90AA1VCPALDH1A1MAPT
Benzene SCHEMBL27362307 0.60 FBP1 (0.46) FBP1HSP90AA1VCPRXRAALDH1A1
SCHEMBL28212564 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7633007-B2 Self-assembled photosynthesis-inspired light harvesting material and solar cells containing the same NORTH CAROLINA STATE UNIVERSITY (US) 2009-12-15 US disclosed
WO-2008018982-A2 SELF-ASSEMBLED PHOTOSYNTHESIS-INSPIRED LIGHT HARVESTING MATERIAL AND SOLAR CELLS CONTAINING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2008-02-14 WO disclosed
US-20080029155-A1 SELF-ASSEMBLED PHOTOSYNTHESIS-INSPIRED LIGHT HARVESTING MATERIAL AND SOLAR CELLS CONTAINING THE SAME ENERGY, UNITED STATES DEPARTMENT OF 2008-02-07 US disclosed