SCHEMBL23398473

SCHEMBL23398473

CCCc1c(-c2cccc(C)c2)[nH]n(-c2cccc(C)c2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.41
MAPT P10636 7/20 0.41
NOD2 Q9HC29 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
GAA P10253 7/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37

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
SCHEMBL23398674 0.94 CYBB (0.58) CYBBNOX4NOX1ALKBH5MAPT
SCHEMBL23402857 0.94 CYBB (0.44) CYBBNOX4NOX1ALKBH5MAPT
SCHEMBL23402642 0.94 CYBB (0.55) CYBBNOX4NOX1MAPTTDP1
SCHEMBL23402370 0.91 CYBB (0.52) CYBBNOX4NOX1ALKBH5MAPT
SCHEMBL23399133 0.91 CYBB (0.49) CYBBNOX4NOX1MAPTGAA
SCHEMBL23400868 0.90 ALKBH5 (0.43) CYBBNOX4NOX1ALKBH5MAPT
SCHEMBL23402036 0.88 CYBB (0.51) CYBBNOX4NOX1ALKBH5MAPT
SCHEMBL23398937 0.88 CYBB (0.48) CYBBNOX4NOX1MAPTTDP1
SCHEMBL23400891 0.85 CYBB (0.46) CYBBNOX4NOX1ALKBH5MAPT
SCHEMBL23400497 0.84 GAA (0.56) ALKBH5MAPTNOD2TDP1TNF

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed