SCHEMBL21207945

SCHEMBL21207945

CNC(=O)CC1CCN(CCCCOc2ccc(C)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
HRH3 Q9Y5N1 7/20 0.50
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL20230973 0.93 HRH3 (0.54) HRH3
SCHEMBL20234779 0.91 HRH3 (0.47) HRH3KDM4E
SCHEMBL20230970 0.84 KCNA5 (0.59) KDM4EALDH1A1TDP1
SCHEMBL20234777 0.83 KCNA5 (0.58) HRH3KDM4EALDH1A1
SCHEMBL20234801 0.81 KCNA5 (0.47) KMT2AHRH3MEN1KDM4EALDH1A1
SCHEMBL20325308 0.81 LTA4H (0.53) HRH3KDM4EALDH1A1
SCHEMBL20234772 0.80 KCNA5 (0.60) HRH3ALDH1A1
SCHEMBL9968680 0.80 LTA4H (0.66) KMT2AHRH3MEN1KCNH2
SCHEMBL21026132 0.79 HRH3 (0.50) KMT2AHRH3KDM4EKCNH2
SCHEMBL20329995 0.79 KMT2A (0.48) KMT2AHRH3MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019148055-A9 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-09-26 WO disclosed
WO-2019148055-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-08-01 WO disclosed