SCHEMBL6082482

SCHEMBL6082482

N#Cc1c(Cl)cc(Cl)c(C#N)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TRPV4 Q9HBA0 2/20 0.39
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
KDM4E B2RXH2 4/20 0.33
VCAM1 P19320 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
AHR P35869 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PGK1 P00558 1/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL3695890 0.89 HPGD (0.50) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL29497287 0.83 HPGD (0.43) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL9737132 0.83 HPGD (0.43) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL10495789 0.83 HSD17B10 (0.52) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL4736891 0.82 HPGD (0.55) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL31621320 0.81 MAPK1 (0.48) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL10946030 0.81 MAPK1 (0.48) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL31621319 0.81 MAPK1 (0.48) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL21574928 0.78 TRPV4 (0.41) MAPK1HPGDALDH1A1CYP3A4MEN1
SCHEMBL28599115 0.78 ALDH1A1 (0.44) MAPK1HPGDALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018537-B2 Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid CHIRALLICA D.O.O. (HR) 2006-03-28 US claimed
US-20040144708-A1 Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid EURAND PHARMACEUTICALS LTD. (IE) 2004-07-29 US claimed
EP-1370356-A1 CHIRAL STATIONARY PHASES BASED ON DERIVATIVES OF 4-AMINO-3,5-DINITROBENZOIC ACID EURAND PHARMACEUTICALS LTD. (IE) 2003-12-17 EP claimed
WO-2002070124-A1 CHIRAL STATIONARY PHASES BASED ON DERIVATIVES OF 4-AMINO-3,5-DINITROBENZOIC ACID EURAND PHARMACEUTICALS LTD (IE) 2002-09-12 WO claimed
EP-2255653-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2255649-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
US-7018537-B2 Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid CHIRALLICA D.O.O. (HR) 2006-03-28 US disclosed
US-20040144708-A1 Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid EURAND PHARMACEUTICALS LTD. (IE) 2004-07-29 US disclosed
EP-1370356-A1 CHIRAL STATIONARY PHASES BASED ON DERIVATIVES OF 4-AMINO-3,5-DINITROBENZOIC ACID EURAND PHARMACEUTICALS LTD. (IE) 2003-12-17 EP disclosed
WO-2002070124-A1 CHIRAL STATIONARY PHASES BASED ON DERIVATIVES OF 4-AMINO-3,5-DINITROBENZOIC ACID EURAND PHARMACEUTICALS LTD (IE) 2002-09-12 WO disclosed