SCHEMBL9420573

SCHEMBL9420573

O=C(O)c1ccc([N+](=O)[O-])cc1CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.50
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
NPC1 O15118 1/20 0.45
TRPA1 O75762 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL9420470 1.00 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL28068351 0.92 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL28428327 0.87 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL6304900 0.86 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL3387313 0.86 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL6304897 0.86 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL2008245 0.86 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL27882095 0.83 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL2557500 0.83 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL3391556 0.83 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456215-A Contain fluorenes or Fluorenone structure function diamine monomer and its synthetic method and application with high flatness 湖南工业大学 2019-03-12 CN disclosed
CN-105693539-B Diamine monomer containing fluorene or fluorenone structure and having high planarity as well as synthesis method and application thereof 湖南工业大学 2019-01-25 CN disclosed
CN-105693539-A Diamine monomer containing fluorene or fluorenone structure and having high planarity as well as synthesis method and application thereof 湖南工业大学 2016-06-22 CN disclosed
EP-0328585-B1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC (US) 1994-09-07 EP disclosed
EP-0328585-A4 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES 1991-06-05 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 WO disclosed