SCHEMBL3973969

SCHEMBL3973969

O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
MAPK1 P28482 1/20 0.69
TDP1 Q9NUW8 2/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE7A Q13946 1/20 0.51
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
VCAM1 P19320 6/20 0.46

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
SCHEMBL9251355 0.90 TSHR (0.58) TSHRMAPK1TDP1CA1CA2
SCHEMBL16712984 0.89 TSHR (0.56) TSHRMAPK1TDP1CA1CA2
SCHEMBL5992360 0.82 VCAM1 (0.60) TSHRMAPK1TDP1MAPTMEN1
SCHEMBL29398960 0.82 TSHR (1.00) TSHRMAPK1TDP1CA1CA2
SCHEMBL487215 0.82 TSHR (1.00) TSHRMAPK1TDP1CA1CA2
SCHEMBL2461199 0.80 VCAM1 (0.58) TSHRMAPK1TDP1MAPTMEN1
Fluoride SCHEMBL4646971 0.80 TSHR (0.96) TSHRMAPK1TDP1CA1CA2
SCHEMBL10521677 0.80 TSHR (0.67) TSHRMAPK1TDP1CA1CA2
SCHEMBL2859245 0.80 HSD17B10 (0.69) TSHRMAPK1TDP1CA1CA2
SCHEMBL10945034 0.79 ERN1 (0.50) TSHRMAPK1TDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727781-B1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2009-05-06 EP claimed
EP-1727781-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-06 EP claimed
WO-2005063679-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO claimed
US-5276132-A Polyamic acid or polyimide having a steroidal skeleton providing a pretilt angle of 3 to 90 degrees; SBE(super twisted birefringence effect) and SH(super homeotropic) devices JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-01-04 US claimed
EP-1727781-B1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2009-05-06 EP disclosed
EP-1727781-B1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2009-05-06 EP disclosed
EP-1727781-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-06 EP disclosed
WO-2005063679-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO disclosed
US-6835854-B1 Oxidation of 3,3'-dichloro 4,4'-diaminobiphenyl (DCB), ammonolysis of the resulting 3,3'-dichloro-4,4'-dinitrobiphenyl (DCDNB) and reduction of 3,3'-diamino-4,4'-dinitrobiphenyl and treating with an alkali COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-12-28 US disclosed
EP-0503918-B1 Liquid crystal aligning agent and aligning agent-applied liquid crystal display device JAPAN SYNTHETIC RUBBER CO LTD (JP) 1995-12-27 EP disclosed
US-5286887-A Polymers of metal-complexes of phthalocyanines, porphrins, and crypt and crown compounds; solvent-insoluble oxidation catalysts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-15 US disclosed
US-5276132-A Polyamic acid or polyimide having a steroidal skeleton providing a pretilt angle of 3 to 90 degrees; SBE(super twisted birefringence effect) and SH(super homeotropic) devices JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-01-04 US disclosed
WO-1993006150-A1 POLYMERS OF MACROCYCLIC METAL CHELATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-04-01 WO disclosed
EP-0503918-A1 Liquid crystal aligning agent and aligning agent-applied liquid crystal display device JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-09-16 EP disclosed
US-H728-H Aryloxy p-benzidine compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1990-02-06 US disclosed