Cresoquinone

Cresoquinone

SCHEMBL9790691

CC1=CC(=O)C=CC1=O.O=[N+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.42
CYP3A4 P08684 1/20 0.40
S100A4 P26447 2/20 0.39
PTPRC P08575 1/20 0.39
GPR35 Q9HC97 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Benzoquinone SCHEMBL27988757 0.80 HSD17B10 (0.54) ALDH1A1MEN1KMT2AHSD17B10LMNA
Cresoquinone SCHEMBL49207 0.76
Biphenyl SCHEMBL28097686 0.75 HSD17B3 (0.59) ALDH1A1MEN1KMT2ALMNAMAPT
Cresoquinone SCHEMBL28970007 0.73 ERBB2 (0.44) ALDH1A1MEN1KMT2AHSD17B10LMNA
Ethane SCHEMBL27611887 0.73 HSD17B10 (0.68) ALDH1A1MEN1KMT2AHSD17B10LMNA
Cresoquinone SCHEMBL28348842 0.73 ERBB2 (0.44) ALDH1A1MEN1KMT2AHSD17B10LMNA
Cresoquinone SCHEMBL28020551 0.73 MAOA (0.47) ALDH1A1MEN1KMT2AHSD17B10LMNA
Cresoquinone SCHEMBL27750381 0.73 ERBB2 (0.44) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL29577518 0.73 HSD17B10 (0.67) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL22566 0.73 HSD17B10 (0.67) ALDH1A1MEN1KMT2AHSD17B10LMNA

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
US-5015555-A Adhesion, flexibility E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed