SCHEMBL3988349

SCHEMBL3988349

CCC(N)(C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.44
TP53 P04637 2/20 0.44
GPR35 Q9HC97 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CES2 O00748 1/20 0.42
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL16266196 0.87 CYP1A2 (0.49) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL29828109 0.87 CYP1A2 (0.49) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL1230449 0.87 ALDH1A1 (0.46) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL10535526 0.85 TDP1 (0.47) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL125329 0.83 TDP1 (0.50) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL125328 0.83 TDP1 (0.50) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL4848695 0.82 CYP1A2 (0.44) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL8962627 0.81 TDP1 (0.49) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL11833322 0.78 TDP1 (0.50) TDP1POLBCYP1A2ALDH1A1MAPT
SCHEMBL9070342 0.78 CYP1A2 (0.61) TDP1POLBCYP1A2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6941051-B2 Method for producing non-linear optical organic crystal film REVEO, INC. (US) 2005-09-06 US claimed
US-6762844-B2 Optical microscope using an interferometric source of two-color, two-beam entangled photons UT-BATTELLE, LLC 2004-07-13 US claimed
US-6744518-B2 Interferometric source of multi-color, multi-beam entangled photons with mirror and mixer UT-BATTELLE, LLC 2004-06-01 US claimed
US-20040033038-A1 Method for producing non-linear optical organic crystal film XU JIANJUN (US) 2004-02-19 US claimed
US-6577798-B2 Method for producing non-linear optical organic crystal film REVEO, INC. 2003-06-10 US claimed
US-20030098979-A1 Optical microscope using an interferometric source of two-color, two-beam entangled photons ENERGY, U.S. DEPARTMENT OF 2003-05-29 US claimed
US-20030098980-A1 Interferometric source of multi-color, multi-beam entangled photons UT-BATTELLE, L.L.C. 2003-05-29 US claimed
WO-2003019282-A2 ENTANGLED-PHOTON MICROSCOPE UT-BATTELLE, LLC (US) 2003-03-06 WO claimed
WO-2003019284-A2 INTERFEROMETRIC SOURCE OF MULTI-COLOR, MULTI-BEAM ENTANGLED PHOTONS UT-BATTELLE, LLC (US) 2003-03-06 WO claimed
US-20020041427-A1 Method for producing non-linear optical organic crystal film REVEO, INC. 2002-04-11 US claimed
WO-2002008828-A2 COMPOSITE NONLINEAR OPTICAL FILM, METHOD OF PRODUCING THE SAME AND APPLICATIONS OF THE SAME REVEO, INC. (US) 2002-01-31 WO claimed
WO-2002006890-A2 METHOD FOR PRODUCING NON-LINEAR OPTICAL ORGANIC CRYSTAL FILM REVEO, INC. (US) 2002-01-24 WO claimed
US-6303056-B1 Composite nonlinear optical film, method of producing the same and applications of the same REVEO, INC. 2001-10-16 US claimed
EP-1827866-B1 SECURITY DOCUMENT COMPRISING A LIGHT SOURCE AND A LIGHT-PROCESSING DEVICE ORELL FUESSLI SICHERHEITSDRUCK (CH) 2009-05-27 EP disclosed
US-20080169639-A1 Security Document Comprising A Light Source And Light-Processing Device ORELL FUSSLI SICHERHEITSDRUCK AG (CH) 2008-07-17 US disclosed
EP-1827866-A2 SECURITY DOCUMENT COMPRISING A LIGHT SOURCE AND A LIGHT-PROCESSING DEVICE Orell Füssli Sicherheitsdruck AG (CH) 2007-09-05 EP disclosed
US-4622409-A N-(4-nitrophenyl)-2-(hydroxymethyl)-pyrrolidine and deuterated derivatives thereof FRANCE TELECOM, ETABLISSEMENT AUTONOME DE DROIT PUBLIC (FR) 1986-11-11 US disclosed
EP-0191661-A1 Coating and crystallisation process of an organic-material film by the use of a beam of energy Flicstein, Jean (FR) 1986-08-20 EP disclosed
WO-1980001225-A1 2-METHYL-4-NITRO-ANILINE NONLINEAR OPTICAL DEVICES WESTERN ELECTRIC CO (US) 1980-06-12 WO disclosed
US-4199698-A 2-Methyl-4-nitro-aniline nonlinear optical devices BELL TELEPHONE LABORATORIES, INCORPORATED (US) 1980-04-22 US disclosed