SCHEMBL11047720

SCHEMBL11047720

O=CCc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
MCL1 Q07820 1/20 0.56
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 1/20 0.52
SRC P12931 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 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
SCHEMBL29042545 0.87 MEN1 (0.56) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL15264825 0.84 MEN1 (0.53) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL126110 0.81 MAPT (0.61) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL718255 0.80 MAPT (0.74) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL29198018 0.80 CYP1A2 (0.39) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL496226 0.80 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL11691634 0.79 MAPT (0.64) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL669313 0.79 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL5964901 0.79 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1POLB
Methane SCHEMBL9392239 0.78 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1POLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1189447-C Process for synthesizing 6-18F-L-dopa NANFANG HOSPITAL (CN) 2005-02-16 CN claimed
CN-1408705-A Process for synthesizing 6-18F-L-dopa NANFANG HOSPITAL (CN) 2003-04-09 CN claimed
CN-104651476-A Novel nitroreductase enzymatic substrates BIOMERIEUX SA 2015-05-27 CN disclosed
CN-104531832-A Novel nitroreductase enzymatic substrates BIOMERIEUX SA 2015-04-22 CN disclosed
CN-102124123-B Novel Nitroreductase Substrates BIOMERIEUX SA 2015-01-14 CN disclosed
CN-104262073-A Small modular multifunctional automatic 18F labelling PET (positron emission tomography) drug synthesizer BEIJING SHANWEIZHENGZI MEDICAL TECHNOLOGY CO LTD 2015-01-07 CN disclosed
CN-102016061-B Novel peptidase substrates BIOMERIEUX SA 2014-09-24 CN disclosed
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 CN disclosed
CN-102124123-A Novel Nitroreductase Substrates BIOMERIEUX SA 2011-07-13 CN disclosed
CN-102016061-A Novel peptidase substrates BIOMERIEUX SA 2011-04-13 CN disclosed
CN-101679034-A The method for preparing active [18] F fluorochemical TRASIS S A 2010-03-24 CN disclosed
CN-1950341-A Naphthalimide derivatives for the treatment of cancer UNIBIOSCREEN SA (BE) 2007-04-18 CN disclosed
CN-1189447-C Process for synthesizing 6-18F-L-dopa NANFANG HOSPITAL (CN) 2005-02-16 CN disclosed
CN-1408705-A Process for synthesizing 6-18F-L-dopa NANFANG HOSPITAL (CN) 2003-04-09 CN disclosed
CN-1092188-C Substituted aminoquinazolinone (thione) derivatives or salts thereof, intermediates thereof, and pest control agents and methods of using the same NIHON NOHYAKU CO LTD (JP) 2002-10-09 CN disclosed
CN-1134933-A Substituted aminoquinazolinone (thione) derivatives or salts thereof, intermediates thereof, and pest control agents and methods of using the same NIHON NOHYAKU CO LTD (JP) 1996-11-06 CN disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 CN disclosed
CN-86101879-A Herbicidal heterocyclic 1987-04-08 CN disclosed
US-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed