SCHEMBL4005710

SCHEMBL4005710

N=C(N)Nc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALDH1A1 P00352 9/20 0.49
▸ GAA P10253 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ TTR P02766 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 3/20 0.43

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
Hydrochloric Acid SCHEMBL7865524 0.99 MAPT (0.52) MAPTCYP1A2CYP2C9ALDH1A1GAA
SCHEMBL7325158 0.88 PRSS1 (0.56) MAPTALDH1A1GAALMNAKMT2A
Guanidine SCHEMBL1486812 0.84 MAPT (0.68) MAPTCYP1A2CYP2C9ALDH1A1GAA
SCHEMBL7331050 0.83 PRSS1 (0.51) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL7329499 0.82 KMT2A (0.56) MAPTCYP1A2CYP2C9ALDH1A1GAA
SCHEMBL4071946 0.81 MAPT (0.60) MAPTCYP1A2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3150116 0.81 MAPT (0.63) MAPTCYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL527543 0.80 MAPT (0.71) MAPTCYP1A2CYP2C9ALDH1A1GAA
SCHEMBL30727558 0.80 MAPT (0.71) MAPTCYP1A2CYP2C9ALDH1A1GAA
SCHEMBL5078869 0.80 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170315114-A1 BIMOLECULAR AUTOINHIBITED BIOSENSOR THE UNIVERSITY OF QUEENSLAND (AU) 2017-11-02 — — US disclosed
US-9791436-B2 Protease-based biosensor THE UNIVERSITY OF QUEENSLAND (AU) 2017-10-17 — — US disclosed
US-9772328-B2 Bimolecular protease-based biosensor THE UNIVERSITY OF QUEENSLAND (AU) 2017-09-26 — — US disclosed
EP-3213073-A1 BIMOLECULAR AUTOINHIBITED BIOSENSOR The University Of Queensland (AU) 2017-09-06 — — EP disclosed
EP-2895859-B1 PROTEASE-BASED BIOSENSOR MOLECULE UNIV QUEENSLAND (AU) 2017-05-17 — — EP disclosed
US-20160223529-A1 BIMOLECULAR PROTEASE-BASED BIOSENSOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-04 — — US disclosed
WO-2016065415-A1 BIMOLECULAR AUTOINHIBITED BIOSENSOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-05-06 — — WO disclosed
US-20150226731-A1 PROTEASE-BASED BIOSENSOR THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-13 — — US disclosed
EP-2895859-A1 PROTEASE-BASED BIOSENSOR The University of Queensland (AU) 2015-07-22 — — EP disclosed
WO-2014040129-A1 PROTEASE-BASED BIOSENSOR THE UNIVERSITY OF QUEENSLAND (AU) 2014-03-20 — — WO disclosed
WO-2003070746-A2 PURIFICATION AND CHARACTERIZATION OF A PROTHROMBIN ACTIVATOR FROM THE BRISTLED OF LONOMIA OBLIQUA BIOLAB SANUS FARMACÊUTICA LTDA. (BR) 2003-08-28 — — WO disclosed
EP-1242607-A1 TRANSGENIC INSECT Implyx Ltd. (GB) 2002-09-25 — — EP disclosed
WO-2001044483-A1 TRANSGENIC INSECT IMPLYX LTD. (GB) 2001-06-21 — — WO disclosed
EP-0891426-A2 HUMAN BIKUNIN Bayer Corporation (US) 1999-01-20 — — EP disclosed
WO-1997033996-A2 HUMAN BIKUNIN BAYER CORPORATION (US) 1997-09-18 — — WO disclosed
EP-0602101-A1 INJECTION/ACTIVATION APPARATUS ORION THERAPEUTIC SYSTEMS, INC. (US) 1994-06-22 — — EP disclosed
WO-1993004729-A1 INJECTION/ACTIVATION APPARATUS ORION THERAPEUTIC SYSTEMS, INC. (US) 1993-03-18 — — WO disclosed
EP-0380084-A2 Method for the inhibition of cell-cell and cell substratum interactions by the blocking of carbohydrate-carbohydrate interactions The Biomembrane Institute (US) 1990-08-01 — — EP disclosed
US-4150049-A P-NITROPHENYL AMIDINOPHENYLMETHANESULFONATE, THROMBIN INACTIVATION THE GOVERNMENT OF THE UNITED STATES (US) 1979-04-17 — — US disclosed
US-4001087-A INACTIVATION OF THROMBIN THE UNITED STATES OF AMERICA (US) 1977-01-04 — — US disclosed
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