SCHEMBL30735839

SCHEMBL30735839

COc1ccc2nc(NC(=N)NC3CCN(C)CC3)nc(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
EHMT1 Q9H9B1 1/20 0.47
EZH2 Q15910 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP2 O95551 1/20 0.42

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
SCHEMBL27344425 1.00 KDM4E (0.48) KDM4EEHMT1EZH2MAPTSMN1; SMN2
SCHEMBL27343122 0.93 NPSR1 (0.50) KDM4EEHMT1EZH2MAPTHTT
SCHEMBL27343474 0.86 KDM4E (0.39) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL30736177 0.86 KDM4E (0.39) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL27343123 0.84 KDM4E (0.38) KDM4EEHMT1EZH2MAPTSMN1; SMN2
SCHEMBL27342913 0.83 KMT2A (0.44) KDM4EMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL27343473 0.81 KDM4E (0.36) KDM4EEHMT1ALDH1A1MEN1KMT2A
SCHEMBL27343467 0.78 KMT2A (0.41) EHMT1MEN1KMT2A
SCHEMBL30735950 0.77 EZH2 (0.46) KDM4EEZH2MAPTSMN1; SMN2HTT
SCHEMBL27344419 0.77 EZH2 (0.46) KDM4EEZH2MAPTSMN1; SMN2HTT

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
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed