SCHEMBL3457201

SCHEMBL3457201

Cc1cc(C#N)ccc1C1=CCN(CC(=O)N2CCCC2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 3/20 0.44
MMP2 P08253 1/20 0.41
CDK9 P50750 11/20 0.39
CCNT1 O60563 10/20 0.39
EGLN1 Q9GZT9 2/20 0.38
NAMPT P43490 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3457331 0.85 ADAM10 (0.45) ADAM10MMP2CDK9CCNT1NAMPT
SCHEMBL3457875 0.80 NAMPT (0.51) ADAM10MMP2EGLN1NAMPTKDM4E
SCHEMBL6359772 0.74 NAMPT (0.42) ADAM10MMP2NAMPTCYP11B1CYP11B2
SCHEMBL3457001 0.74 ALDH1A1 (0.43) ADAM10MMP2CDK9CCNT1EGLN1
SCHEMBL3457923 0.74 SMN1; SMN2 (0.41) ADAM10MMP2CDK9CCNT1EGLN1
SCHEMBL3436692 0.72 CCNT1 (0.44) CDK9CCNT1NAMPTKDM4E
SCHEMBL5320102 0.69 PDK4 (0.53) NAMPT
SCHEMBL3435568 0.67 CCNT1 (0.41) CDK9CCNT1NAMPT
SCHEMBL3457605 0.66 ADAM10 (0.39) ADAM10MMP2EGLN1CYP11B1CYP11B2
SCHEMBL3436504 0.64 CDK9 (0.53) CDK9CCNT1

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