SCHEMBL30225577

SCHEMBL30225577

c1ccc(CNCc2cccc(CNCc3ccccn3)c2)nc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 3/20 0.68
L3MBTL1 Q9Y468 5/20 0.61
KDM4E B2RXH2 3/20 0.59
CHRM2 P08172 1/20 0.56
SMARCA2 P51531 1/20 0.54
CCR5 P51681 1/20 0.51
HTT P42858 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL14931741 1.00 KMT2A (0.68) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL22305532 0.92 ALDH1A1 (0.60) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL21975726 0.92 KMT2A (0.60) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL30338458 0.92 KMT2A (0.60) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL30338402 0.91 KDM4E (0.66) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL5575878 0.91 KDM4E (0.66) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL2947235 0.89 ALDH1A1 (0.63) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL25376426 0.89 ALDH1A1 (0.60) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL30967716 0.87 L3MBTL1 (0.56) KMT2AALDH1A1MEN1L3MBTL1KDM4E
SCHEMBL3314110 0.86 L3MBTL1 (0.62) KMT2AALDH1A1MEN1L3MBTL1KDM4E

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-4143302-A1 METHODS AND COMPOSITIONS FOR TRANSDUCING HEMATOPOIETIC STEM AND PROGENITOR CELLS IN VIVO Magenta Therapeutics, Inc. (US) 2023-03-08 EP disclosed