SCHEMBL7803259

SCHEMBL7803259

NC(=O)N(O)CCCCCCn1c(-c2cccnc2)cc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.46
TBXAS1 P24557 3/20 0.41
KCNH2 Q12809 1/20 0.39
AOC3 Q16853 1/20 0.39
KLK7 P49862 2/20 0.36
F2 P00734 1/20 0.35
F12 P00748 1/20 0.35
MAPT P10636 1/20 0.35
KLK5 Q9Y337 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7811305 0.88 ALDH1A1 (0.45) TBXAS1MAPT
SCHEMBL7809757 0.88 ALDH1A1 (0.45) TBXAS1MAPT
SCHEMBL7811788 0.88 ALDH1A1 (0.45) TBXAS1MAPT
SCHEMBL7803269 0.88 ALDH1A1 (0.45) TBXAS1MAPT
SCHEMBL7815552 0.87 ALDH1A1 (0.46) TBXAS1MAPT
SCHEMBL7809652 0.82 TBXAS1 (0.48) TBXAS1KCNH2KLK7MAPTMKNK1
SCHEMBL7803145 0.81 TBXAS1 (0.55) TBXAS1KCNH2MAPTMAPK1CYP3A4
SCHEMBL7803240 0.80 ALDH1A1 (0.48) KCNH2AOC3CYP1A2
SCHEMBL7803168 0.75 TBXAS1 (0.54) TBXAS1KCNH2MAPT
SCHEMBL7803024 0.74 TBXAS1 (0.53) TBXAS1KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed