SCHEMBL9288607

SCHEMBL9288607

CC1=CC(c2cccc(C)c2)C=CC1(O)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 3/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FBP1 P09467 1/20 0.33
HDAC4 P56524 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
CACNA1F O60840 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
ALOX15 P16050 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
SCHEMBL2165693 0.79 KMT2A (0.36) LMNAKMT2AMAPTACHEL3MBTL1
Methane SCHEMBL6545484 0.77 KMT2A (0.36) LMNAKMT2AMAPTACHEL3MBTL1
SCHEMBL9458426 0.71 OPRK1 (0.43) KMT2AMAPTACHEL3MBTL1TDP1
SCHEMBL5175848 0.69 TDP1 (0.33) LMNAKMT2AMAPTL3MBTL1TDP1
SCHEMBL7141443 0.67 HDAC4 (0.37) LMNAKMT2AMAPTTSHRACHE
SCHEMBL10954394 0.67 LMNA (0.45) LMNAKMT2AMAPTTSHRACHE
Ether SCHEMBL2892649 0.66 ALDH1A1 (0.39) LMNAKMT2AMAPTTSHRL3MBTL1
SCHEMBL10071228 0.66 KMT2A (0.50) LMNAKMT2AMAPTTSHRACHE
SCHEMBL18131323 0.66 KMT2A (0.44) LMNAKMT2AMAPTTSHRACHE
SCHEMBL6151708 0.65 ACHE (0.52) LMNAKMT2AMAPTACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP disclosed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO disclosed