SCHEMBL8208243

SCHEMBL8208243

O=C(O)CN(CCN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 1/20 0.66
LIN28A Q9H9Z2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
KMT2A Q03164 1/20 0.50
KCNA5 P22460 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PTPRA P18433 1/20 0.45
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL2818579 0.98 SMN1; SMN2 (0.68) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL29574935 0.97 SMN1; SMN2 (0.71) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL4526885 0.97 SMN1; SMN2 (0.66) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8209122 0.97 TDP1 (0.66) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8200516 0.97 SMN1; SMN2 (0.71) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8211406 0.95 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL19876826 0.94 TDP1 (0.71) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL3854916 0.93 SMN1; SMN2 (0.63) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8208011 0.92 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL17714013 0.92 TDP1 (0.60) SMN1; SMN2MAPTLIN28ATDP1KMT2A

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-6022490-A FOR ACTIVATING PEROXY BLEACH LEVER BROTHERS COMPANY (US) 2000-02-08 US disclosed