SCHEMBL29952497

SCHEMBL29952497

CN(CC#N)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 5/20 0.39
KDM2A Q9Y2K7 3/20 0.39
KDM7A Q6ZMT4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 14/20 0.37
KDM5A P29375 9/20 0.37
DPP4 P27487 2/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KDM4A O75164 6/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL29957195 0.78 MAOB (0.41) PHF8KDM2AKDM7AMEN1KMT2A
SCHEMBL718216 0.78 KMT2A (0.56) PHF8KDM2AKDM7AMEN1KMT2A
SCHEMBL29952584 0.77
SCHEMBL8747264 0.77 CYP1A2 (0.38) PHF8KDM2AKDM7AKDM5ADPP4
SCHEMBL11239382 0.76 KMT2A (0.54) PHF8KDM2AKDM7AMEN1KMT2A
Methane SCHEMBL15776806 0.76 KMT2A (0.54) PHF8KDM2AKDM7AMEN1KMT2A
SCHEMBL7566680 0.75 CYP1A2 (0.38) DPP4ALDH1A1
SCHEMBL22815162 0.72 KDM4C (0.55) PHF8KDM2AKDM7AMEN1KMT2A
SCHEMBL3198287 0.72
SCHEMBL30635841 0.72 KDM4C (0.55) PHF8KDM2AKDM7AMEN1KMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed