SCHEMBL7807904

SCHEMBL7807904

Cn1c(CN(O)C(N)=O)c(-c2cccnc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC1 Q13547 4/20 0.46
TBXAS1 P24557 3/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 4/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
F2 P00734 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7807782 0.80 TBXAS1 (0.47) CYP11B2HDAC6HDAC1TBXAS1KDM4E
SCHEMBL7811660 0.78 CYP11B2 (0.45) CYP11B2HDAC6HDAC1TBXAS1SMN1; SMN2
SCHEMBL7809643 0.75 CYP11B2 (0.49) CYP11B2HDAC6HDAC1TBXAS1KDM4E
SCHEMBL7811888 0.73 CAMK2D (0.51) CYP11B2TBXAS1GSK3B
SCHEMBL29834882 0.71 HDAC6 (0.51) CYP11B2HDAC6HDAC1TBXAS1KDM4E
SCHEMBL7815774 0.70 FNTA (0.56) CYP11B2
SCHEMBL7803002 0.70 TBXAS1 (0.70) CYP11B2TBXAS1MAPTCYP2D6
SCHEMBL7803155 0.70 CAMK2D (0.52) TBXAS1GSK3B
SCHEMBL7803024 0.68 TBXAS1 (0.53) CYP11B2HDAC6TBXAS1MAPTCYP2D6
SCHEMBL7803168 0.68 TBXAS1 (0.54) CYP11B2HDAC6TBXAS1MAPTCYP2D6

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