Benzoquinone

Benzoquinone

SCHEMBL28214836

NCCCC(NC(F)F)C(=O)O.O=C1C=CC(=O)C=C1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
CPB2 Q96IY4 5/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACE P12821 2/20 0.34
GSR P00390 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
SLC15A2 Q16348 1/20 0.32
TLR2 O60603 1/20 0.32

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
SCHEMBL8734 0.88 FOLH1 (0.46) FOLH1CPB2MMP2MMP9GSR
SCHEMBL8735 0.88 FOLH1 (0.46) FOLH1CPB2MMP2MMP9GSR
SCHEMBL2873029 0.88 FOLH1 (0.46) FOLH1CPB2MMP2MMP9GSR
Hydrochloric Acid SCHEMBL1560135 0.87 FOLH1 (0.45) FOLH1CPB2MMP2MMP9GSR
Hydrochloric Acid SCHEMBL1560136 0.87 FOLH1 (0.45) FOLH1CPB2MMP2MMP9GSR
Hydrochloric Acid SCHEMBL21933053 0.85 FOLH1 (0.44) FOLH1CPB2MMP2MMP9CA1
SCHEMBL6479470 0.83 FOLH1 (0.53) FOLH1CPB2MMP2MMP9CA1
SCHEMBL6479474 0.83 FOLH1 (0.53) FOLH1CPB2MMP2MMP9CA1
Ornithine SCHEMBL3820639 0.81 GSR (0.56) FOLH1GSR
SCHEMBL7603037 0.75 FOLH1 (0.44) FOLH1CPB2MMP2MMP9CA1

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
CN-108064282-A Adenosine deaminase -2 (ADA2), its variant composition and use its method 哈洛齐梅公司 2018-05-22 CN disclosed