SCHEMBL3654191

SCHEMBL3654191

O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.63
MAPK1 P28482 2/20 0.59
TSHR P16473 1/20 0.59
S1PR4 O95977 3/20 0.57
HPGD P15428 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.51
TTR P02766 3/20 0.51
HSP90AA1 P07900 2/20 0.51
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
HSPA5 P11021 1/20 0.51
CBR1 P16152 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
AGTR1 P30556 1/20 0.51

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
SCHEMBL10387432 0.93 PDE7A (0.71) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL27637473 0.89 PDE7A (0.72) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL20855342 0.89 S1PR4 (0.73) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL1340557 0.89 HSPB1 (0.56) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL640965 0.89 HPGD (0.73) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL30392319 0.89 HPGD (0.73) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL4912854 0.89 HPGD (0.73) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL4965836 0.88 MAPK1 (0.62) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL6251002 0.87 TTR (0.62) PDE7AMAPK1TSHRS1PR4HPGD
SCHEMBL20855340 0.85 S1PR4 (0.51) PDE7AMAPK1TSHRS1PR4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209763-A2 A PROCESS FOR THE PREPARATION OF 5-CHLORO-2(2,4-DICHLOROPHENOXY) ANILINE Dorf Ketal Chemicals (I) Private Limited (IN) 2010-07-28 EP claimed
WO-2009090669-A2 A PROCESS FOR THE PREPARATION OF 5-CHLORO-2(2,4-DICHLOROPHENOXY) ANILINE DORF KETAL CHEMICALS (I) PRIVATE LIMITED (IN) 2009-07-23 WO claimed
EP-2209763-A2 A PROCESS FOR THE PREPARATION OF 5-CHLORO-2(2,4-DICHLOROPHENOXY) ANILINE Dorf Ketal Chemicals (I) Private Limited (IN) 2010-07-28 EP disclosed
WO-2009090669-A2 A PROCESS FOR THE PREPARATION OF 5-CHLORO-2(2,4-DICHLOROPHENOXY) ANILINE DORF KETAL CHEMICALS (I) PRIVATE LIMITED (IN) 2009-07-23 WO disclosed
EP-0825979-B1 PROCESS FOR THE CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS NOVARTIS AG (CH) 2001-01-03 EP disclosed
US-6096924-A IN THE PRESENCE OF AT LEAST ONE VANADIUM COMPOUND OF OXIDATION STATE 0, II, III, IV, OR V, WHEREIN SAID VANADIUM COMPOUND IS DISSOLVED OR DISPERSED IN SAID SOLUTION OR MELT. NOVARTIS AG (CH) 2000-08-01 US disclosed
EP-0825979-A1 PROCESS FOR THE CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS Novartis AG (CH) 1998-03-04 EP disclosed
WO-1996036597-A1 PROCESS FOR THE CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS NOVARTIS AG (CH) 1996-11-21 WO disclosed