SCHEMBL4594350

SCHEMBL4594350

O=[N+]([O-])c1cc(Cl)c(Cl)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
HIF1A Q16665 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
MAPK1 P28482 1/20 0.44
GPR35 Q9HC97 2/20 0.42
VCAM1 P19320 5/20 0.41
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL8653908 0.88 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL28904818 0.88 TDP1 (0.50) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL31236206 0.85 TSHR (0.45) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL8526617 0.85 TSHR (0.45) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL9343855 0.83 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL8146477 0.83 TDP1 (0.46) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL7734435 0.82 TSHR (0.48) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL28904803 0.79 GPR35 (0.52) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL9787411 0.78 ALDH1A1 (0.47) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL7113012 0.77 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294742-A Process for preparing 3,5-difluoroaniline HOECHST ATKIENGESELLSCHAFT (DE) 1994-03-15 US claimed
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 EP disclosed
EP-1673110-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-06-28 EP disclosed
EP-1594504-A2 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T.K. Signal Ltd. (IL) 2005-11-16 EP disclosed
WO-2005023315-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-03-17 WO disclosed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 WO disclosed
EP-0794936-B1 METHOD FOR PREPARING FLUOROANILINES FROM NITROFLUOROBENZENE COMPOUNDS RHODIA CHIMIE SA (FR) 1999-03-17 EP disclosed
US-5856577-A Process for the preparation of fluoroanilines from fluorinated nitrated benzene compounds RHONE-POULENC CHIMIE (FR) 1999-01-05 US disclosed
EP-0875497-A2 Method for preparing fluoroanilines from nitrofluorobenzene compounds RHODIA CHIMIE (FR) 1998-11-04 EP disclosed
EP-0794936-A1 METHOD FOR PREPARING FLUOROANILINES FROM NITROFLUOROBENZENE COMPOUNDS RHONE-POULENC CHIMIE (FR) 1997-09-17 EP disclosed
WO-1996016926-A1 METHOD FOR PREPARING FLUOROANILINES FROM NITROFLUOROBENZENE COMPOUNDS RHONE-POULENC CHIMIE (FR) 1996-06-06 WO disclosed
EP-0562435-B1 Process for the preparation of 3,5-difluoroaniline HOECHST AG (DE) 1995-06-07 EP disclosed
US-5294742-A Process for preparing 3,5-difluoroaniline HOECHST ATKIENGESELLSCHAFT (DE) 1994-03-15 US disclosed
EP-0562435-A1 Process for the preparation of 3,5-difluoroaniline HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed