Nitrophenolate

Nitrophenolate

SCHEMBL28626257

CCOc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1C.O=[N+]([O-])c1ccccc1O

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 2/20 0.40
RAB9A P51151 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12817224 0.89 GPR35 (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL31148932 0.89 GPR35 (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL28589280 0.77 GPR35 (0.47) MAPTKMT2AMEN1MAPK1RECQL
SCHEMBL28580966 0.77 GPR35 (0.50) MAPTKMT2AMEN1MAPK1RECQL
SCHEMBL16861184 0.76 GPR35 (0.51) MAPTKMT2AMEN1MAPK1RECQL
Nitrophenolate SCHEMBL5888852 0.76 GPR35 (0.50) MAPTKMT2AMEN1MAPK1RECQL
Nitrophenolate SCHEMBL28636240 0.75 GPR35 (0.57) KMT2AMEN1MAPK1RECQLALDH1A1
Nitrophenolate SCHEMBL28573815 0.74 GPR35 (0.55) KMT2AMEN1MAPK1ALDH1A1L3MBTL1
Nitrophenolate SCHEMBL10626454 0.74 GPR35 (0.55) KMT2AMEN1MAPK1RECQLALDH1A1
SCHEMBL28283679 0.74 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1LMNA

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-113195507-A Multifunctional organosilicon compounds and related methods, compounds, and compositions 美国陶氏有机硅公司 2021-07-30 CN disclosed