SCHEMBL7807782

SCHEMBL7807782

Cc1c(-c2cccnc2)c2ccccc2n1CCN(O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.47
HDAC6 Q9UBN7 5/20 0.43
CYP11B2 P19099 2/20 0.42
HDAC1 Q13547 4/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
CYP2D6 P10635 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL7807904 0.80 CYP11B2 (0.46) TBXAS1HDAC6CYP11B2HDAC1ALDH1A1
SCHEMBL7803002 0.79 TBXAS1 (0.70) TBXAS1CYP11B2MAPTCYP2D6
SCHEMBL7811888 0.78 CAMK2D (0.51) TBXAS1CYP11B2
SCHEMBL9282505 0.78 TBXAS1 (0.51) TBXAS1HDAC6CYP11B2HDAC1ALDH1A1
SCHEMBL8544033 0.78 TBXAS1 (0.74) TBXAS1HDAC6ALDH1A1MAPTKDM4E
SCHEMBL7803240 0.77 ALDH1A1 (0.48) CYP11B2ALDH1A1
SCHEMBL7803024 0.75 TBXAS1 (0.53) TBXAS1HDAC6CYP11B2MAPTCYP2D6
SCHEMBL9237199 0.74 TBXAS1 (0.58) TBXAS1ALDH1A1KDM4E
SCHEMBL7803168 0.74 TBXAS1 (0.54) TBXAS1HDAC6CYP11B2MAPTCYP2D6
SCHEMBL7803155 0.72 CAMK2D (0.52) TBXAS1

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