SCHEMBL7050362

SCHEMBL7050362

Cc1ccc(C(N)=O)cc1N.NC(=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RECQL P46063 1/20 0.44
CLCN2 P51788 1/20 0.44
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CHEK2 O96017 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 2/20 0.40

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
SCHEMBL284729 0.82 TDP1 (0.73) MAPTTDP1ALDH1A1POLBKDM4E
SCHEMBL28865485 0.77 CES2 (0.56) MAPTRECQLALDH1A1POLBCES2
SCHEMBL29843413 0.77 CES2 (0.65) MAPTRECQLALDH1A1POLBCES2
SCHEMBL263770 0.77 CES2 (0.65) MAPTRECQLALDH1A1POLBCES2
SCHEMBL5693922 0.76 TDP1 (0.63) MAPTTDP1RECQLMAPK14ALDH1A1
Benzamide SCHEMBL9171626 0.76 POLB (0.64) MAPTTDP1RECQLALDH1A1POLB
Hydrochloric Acid SCHEMBL4373213 0.75 CES2 (0.62) MAPTRECQLALDH1A1POLBCES2
SCHEMBL4873515 0.75 CES2 (0.62) MAPTRECQLALDH1A1POLBCES2
Hydrochloric Acid SCHEMBL404721 0.75 CES2 (0.62) MAPTRECQLALDH1A1POLBCES2
Acetic Acid SCHEMBL29291113 0.73 ALDH1A1 (0.59) MAPTALDH1A1POLBCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303574-A1 AMIDE-BASED ANTIFREEZE CONCENTRATES AND COOLANT COMPOSITIONS CONTAINING THE SAME FOR PROTECTING MAGNESIUM AND MAGNESIUM ALLOYS BASF AKTIENGESELLSCHAFT (DE) 2003-04-23 EP disclosed
WO-2002008354-A1 AMIDE-BASED ANTIFREEZE CONCENTRATES AND COOLANT COMPOSITIONS CONTAINING THE SAME FOR PROTECTING MAGNESIUM AND MAGNESIUM ALLOYS BASF AKTIENGESELLSCHAFT (DE) 2002-01-31 WO disclosed