SCHEMBL3457331

SCHEMBL3457331

Cc1cc(C#N)ccc1C1=CCN(CC(=O)N2CCC(O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 3/20 0.45
MMP2 P08253 1/20 0.43
CDK9 P50750 10/20 0.43
CCNT1 O60563 8/20 0.43
USP5 P45974 1/20 0.41
USP14 P54578 1/20 0.41
USP7 Q93009 1/20 0.41
NAMPT P43490 1/20 0.41
JAK1 P23458 1/20 0.40
KDM1A O60341 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL3457875 0.87 NAMPT (0.51) ADAM10MMP2NAMPTHRH2HRH1
SCHEMBL3457201 0.85 ADAM10 (0.44) ADAM10MMP2CDK9CCNT1NAMPT
SCHEMBL6359772 0.78 NAMPT (0.42) ADAM10MMP2NAMPTJAK1KDM1A
SCHEMBL3457923 0.77 SMN1; SMN2 (0.41) ADAM10MMP2CDK9CCNT1HRH2
SCHEMBL3457329 0.75 KDM1A (0.40) USP5USP14USP7KDM1ACYP11B1
SCHEMBL3457001 0.75 ALDH1A1 (0.43) ADAM10MMP2CDK9CCNT1HRH2
SCHEMBL2174268 0.75 ADAM10 (0.59) ADAM10MMP2
SCHEMBL2176159 0.75 ADAM10 (0.59) ADAM10MMP2
SCHEMBL3436692 0.74 CCNT1 (0.44) CDK9CCNT1NAMPT
SCHEMBL5320102 0.72 PDK4 (0.53) NAMPTJAK1KDM1A

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