SCHEMBL7792237

SCHEMBL7792237

C=CCNc1c([N+](=O)[O-])cc(CC=C)c(CC=C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
MAPT P10636 7/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
BACE1 P56817 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3A P49840 1/20 0.30

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
SCHEMBL7558393 0.78 HCAR3 (0.42) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL8668081 0.77 ALDH1A1 (0.36) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL7783997 0.77 GABRA1 (0.44) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL7645214 0.72 GABRA1 (0.41) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL11336931 0.70 MAPT (0.52) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL11676995 0.70 ALDH1A1 (0.39) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL11273856 0.69 MEN1 (0.51) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL11261545 0.68 HCAR3 (0.49) HCAR3MAPTKMT2AMEN1L3MBTL1
SCHEMBL8468779 0.68 HTT (0.33) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL11442960 0.68 POLB (0.44) MAPTKMT2AMEN1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630883-B1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS (IL) 1998-09-16 EP claimed
US-5602283-A Multi-stage process for preparing N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1997-02-11 US claimed
EP-0630883-A1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1994-12-28 EP claimed
EP-0870756-B1 Process for the preparation of 3,4-disubstituted dinitroanilines CFPI NUFARM (FR) 2001-11-07 EP disclosed
US-6028226-A Process for 3,4-disubstituted dinitroanilines CFPI AGRO (FR) 2000-02-22 US disclosed
EP-0870756-A1 Process for the preparation of 3,4-disubstituted dinitroanilines CFPI AGRO (FR) 1998-10-14 EP disclosed
EP-0630883-B1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS (IL) 1998-09-16 EP disclosed
EP-0630883-B1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS (IL) 1998-09-16 EP disclosed
US-5602283-A Multi-stage process for preparing N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1997-02-11 US disclosed
US-5602283-A Multi-stage process for preparing N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1997-02-11 US disclosed
US-5602283-A Multi-stage process for preparing N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1997-02-11 US disclosed
US-5475148-A Process and intermediate to prepare N-alkyl-3,4-dialkyl-2,6-dinitro-anilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1995-12-12 US disclosed
US-5475148-A Process and intermediate to prepare N-alkyl-3,4-dialkyl-2,6-dinitro-anilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1995-12-12 US disclosed
US-5475148-A Process and intermediate to prepare N-alkyl-3,4-dialkyl-2,6-dinitro-anilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1995-12-12 US disclosed
EP-0630883-A1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1994-12-28 EP disclosed
EP-0630883-A1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1994-12-28 EP disclosed
EP-0630883-A1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1994-12-28 EP disclosed