SCHEMBL3457923

SCHEMBL3457923

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ADAM10 O14672 3/20 0.39
MMP2 P08253 1/20 0.39
KDM4E B2RXH2 6/20 0.39
EGLN1 Q9GZT9 3/20 0.39
MAPT P10636 3/20 0.39
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CDK1 P06493 1/20 0.35
HTT P42858 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
SCHEMBL3457001 0.87 ALDH1A1 (0.43) SMN1; SMN2KMT2AALDH1A1ADAM10MMP2
SCHEMBL3457331 0.77 ADAM10 (0.45) ADAM10MMP2CCNT1CDK9HRH2
SCHEMBL2173252 0.77 ADAM10 (0.49) ADAM10MMP2
SCHEMBL3457850 0.77 ADAM10 (0.46) ADAM10MMP2EGLN1
SCHEMBL3457875 0.76 NAMPT (0.51) ALDH1A1ADAM10MMP2KDM4EEGLN1
SCHEMBL6359772 0.74 NAMPT (0.42) ADAM10MMP2HRH2HRH1
SCHEMBL3457201 0.74 ADAM10 (0.44) ALDH1A1ADAM10MMP2KDM4EEGLN1
SCHEMBL3436692 0.72 CCNT1 (0.44) SMN1; SMN2KMT2AKDM4EMAPTCCNT1
SCHEMBL3457605 0.70 ADAM10 (0.39) ADAM10MMP2EGLN1HRH2HRH1
SCHEMBL5320102 0.69 PDK4 (0.53)

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