SCHEMBL21048742

SCHEMBL21048742

CN(CCN)CCC(=O)O.CN(CN)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
KDM4C Q9H3R0 9/20 0.37
KDM5A P29375 7/20 0.37
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRB3 P28472 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
SCHEMBL2560704 0.88 KMT2A (0.46) KMT2AMEN1KDM4CKDM5AKDM5C
SCHEMBL11435258 0.86 KMT2A (0.45) KMT2AMEN1KDM4CKDM5AKDM5C
SCHEMBL16913017 0.82 BHMT (0.43) KMT2AGABRR3GABRPGABRDHDAC3
SCHEMBL2560448 0.82
SCHEMBL11214853 0.82
Trifluoroacetic Acid SCHEMBL3660810 0.81 KMT2A (0.38) KMT2AMEN1KDM4CKDM5AKDM5C
Hydrochloric Acid SCHEMBL28684528 0.80 BHMT (0.44) KMT2AGABRR3GABRPGABRDHDAC3
Hydrochloric Acid SCHEMBL28198076 0.80 BHMT (0.44) KMT2AGABRR3GABRPGABRDHDAC3
SCHEMBL9621178 0.80 PHF8 (0.44) KMT2AMEN1KDM4CKDM5AKDM5C
SCHEMBL11217811 0.77 KDM4C (0.51) KDM4CKDM5AKDM5CKDM5BPHF8

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-2960066-B1 USE OF A RESIN PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND METHOD OF MANUFACTURING A PRINTING PLATE TORAY INDUSTRIES (JP) 2019-06-12 EP disclosed