SCHEMBL3457329

SCHEMBL3457329

Cc1cc(C#N)ccc1C1=CCN[C](CC(=O)N2CCC(O)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
EGLN1 Q9GZT9 8/20 0.38
FASN P49327 4/20 0.38
RORC P51449 2/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
USP5 P45974 1/20 0.36
USP14 P54578 1/20 0.36
USP7 Q93009 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
SCHEMBL3457871 0.88 FASN (0.40) EGLN1FASNRORC
SCHEMBL3457331 0.75 ADAM10 (0.45) KDM1ACYP11B1CYP11B2USP5USP14
SCHEMBL3457000 0.74 EGLN1 (0.39) EGLN1FASN
SCHEMBL3457210 0.66 CYP11B2 (0.37) EGLN1CYP11B1CYP11B2
SCHEMBL3457601 0.66 OXTR (0.38) EGLN1FASNCYP11B1CYP11B2
SCHEMBL8650355 0.63 KMT2A (0.51)
SCHEMBL6359772 0.63 NAMPT (0.42) KDM1ACYP11B1CYP11B2
SCHEMBL3457201 0.62 ADAM10 (0.44) EGLN1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2171943 0.62 HTR6 (0.59) CYP11B1CYP11B2
SCHEMBL22570906 0.62 ALDH1A1 (0.45) CYP11B1CYP11B2USP5USP14USP7

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