SCHEMBL3457210

SCHEMBL3457210

Cc1cc(C#N)ccc1C1=CCN[C](N2C=C(O)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.37
CYP11B1 P15538 4/20 0.37
EGLN2 Q96KS0 4/20 0.33
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
EGLN1 Q9GZT9 2/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
Hydrochloric Acid SCHEMBL2171943 0.69 HTR6 (0.59) CYP11B2CYP11B1HTR6
SCHEMBL5321408 0.69 HTR6 (0.59) CYP11B2CYP11B1HTR6
SCHEMBL3457871 0.67 FASN (0.40) HRH2HRH1KCNH2EGLN1
SCHEMBL3457329 0.66 KDM1A (0.40) CYP11B2CYP11B1EGLN1
SCHEMBL3457601 0.64 OXTR (0.38) CYP11B2CYP11B1HRH2HRH1EGLN1
SCHEMBL6359772 0.62 NAMPT (0.42) CYP11B2CYP11B1SLC6A4HRH2HRH1
SCHEMBL3457000 0.62 EGLN1 (0.39) EGLN1
SCHEMBL2154193 0.62 CYP11B2 (0.53) CYP11B2CYP11B1EGLN2SLC22A12
SCHEMBL3121523 0.60 CYP11B2 (0.44) CYP11B2CYP11B1EGLN2SLC6A4HTR6
SCHEMBL14540512 0.59 KDM1A (0.35) CYP11B2CYP11B1HTR6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed