SCHEMBL7809652

SCHEMBL7809652

NC(=O)N(O)CCCCCCn1c(-c2cccnc2)c(Cl)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.48
TACR1 P25103 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAOA P21397 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
KLK7 P49862 1/20 0.34
PTGES2 Q9H7Z7 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
SCHEMBL7803145 0.91 TBXAS1 (0.55) TBXAS1TACR1KCNH2CYP11B1CYP11B2
SCHEMBL7803168 0.90 TBXAS1 (0.54) TBXAS1KCNH2CYP11B2MAOAMAPT
SCHEMBL7803024 0.89 TBXAS1 (0.53) TBXAS1KCNH2CYP11B2MAOAMAPT
SCHEMBL7803259 0.82 ACLY (0.46) TBXAS1KCNH2MAPTMKNK1MKNK2
SCHEMBL7803002 0.80 TBXAS1 (0.70) TBXAS1CYP11B2MAOAMAPT
SCHEMBL7811601 0.80 TBXAS1 (0.55) TBXAS1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL7811339 0.80 TBXAS1 (0.55) TBXAS1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL11008497 0.78 TBXAS1 (0.64) TBXAS1TACR1KCNH2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11007370 0.75 TBXAS1 (0.57) TBXAS1TACR1CYP11B1CYP11B2MAOA
SCHEMBL11015107 0.74 TBXAS1 (0.64) TBXAS1TACR1CYP11B1CYP11B2MAOA

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