SCHEMBL7568232

SCHEMBL7568232

O=[N+]([O-])Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CASP7 P55210 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KAT2B Q92831 2/20 0.40
S100A4 P26447 1/20 0.40
POLB P06746 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL15527796 0.82 TSHR (0.41) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL28902031 0.82 GPR35 (0.59) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL950729 0.82 MAPK1 (0.60) TDP1ALDH1A1MAPK1CASP7L3MBTL1
SCHEMBL38001 0.81 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL30426811 0.81 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL1396225 0.81 GPR35 (0.58) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL6573557 0.79 GPR35 (0.56) GPR35TSHRTDP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1511024 0.79 GPR35 (0.52) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL1926046 0.79 TSHR (0.71) GPR35TSHRTDP1ALDH1A1MEN1
SCHEMBL118464 0.79 TSHR (0.71) GPR35TSHRTDP1ALDH1A1MEN1

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-0893431-B1 A method for the purification of dinitroanilines FINCHIMICA SRL (IT) 2002-09-18 EP claimed
US-5959149-A DENITROSATION USING ACID, AND DENITRATION IN A NEUTRAL OR BASIC ENVIRONMENT IN THE PRESENCE OF A PHASE-TRANSFER CATALYST FINCHIMICA S.P.A. (IT) 1999-09-28 US claimed
EP-0893431-A2 A method for the purification of dinitroanilines FINCHIMICA S.p.A. (IT) 1999-01-27 EP claimed
EP-0893431-B1 A method for the purification of dinitroanilines FINCHIMICA SRL (IT) 2002-09-18 EP disclosed
US-5981795-A PURIFYING DINITROANILINE HAVING HERBICIDAL ACTIVITY BY N-DENITRATION OF THE N-NITRO-DINITROANILINE IMPURITIES CONTAINED THEREIN IN THE PRESENCE OF A BASE SELECTED FROM ALKALI-METAL HYDROXIDES, ALKALI-METAL CARBONATES FINCHIMICA S.P.A. (IT) 1999-11-09 US disclosed
US-5981795-A PURIFYING DINITROANILINE HAVING HERBICIDAL ACTIVITY BY N-DENITRATION OF THE N-NITRO-DINITROANILINE IMPURITIES CONTAINED THEREIN IN THE PRESENCE OF A BASE SELECTED FROM ALKALI-METAL HYDROXIDES, ALKALI-METAL CARBONATES FINCHIMICA S.P.A. (IT) 1999-11-09 US disclosed
US-5959149-A DENITROSATION USING ACID, AND DENITRATION IN A NEUTRAL OR BASIC ENVIRONMENT IN THE PRESENCE OF A PHASE-TRANSFER CATALYST FINCHIMICA S.P.A. (IT) 1999-09-28 US disclosed
EP-0893431-A2 A method for the purification of dinitroanilines FINCHIMICA S.p.A. (IT) 1999-01-27 EP disclosed