SCHEMBL9566631

SCHEMBL9566631

Nc1nc(NC(=O)c2cccnc2)nc(-c2cccc(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP2 O95551 1/20 0.51
ADORA1 P30542 1/20 0.50
KCNMA1 Q12791 1/20 0.50
NPC1 O15118 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL11242996 0.92 MEN1 (0.62) MEN1KMT2ATDP2ADORA1KCNMA1
SCHEMBL9566457 0.87 SMN1; SMN2 (0.55) MEN1KMT2AKCNMA1NPC1LMNA
SCHEMBL9566608 0.87 NPC1 (0.58) MEN1KMT2AKCNMA1NPC1L3MBTL1
SCHEMBL8413034 0.86 HDAC1 (0.56) MEN1KMT2AADORA1NPC1KDM4E
SCHEMBL9566577 0.83 NPC1 (0.54) MEN1KMT2AKCNMA1NPC1L3MBTL1
SCHEMBL10483482 0.83 MEN1 (0.55) MEN1KMT2AKCNMA1NPC1L3MBTL1
SCHEMBL10483348 0.83 SMN1; SMN2 (0.59) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL9566558 0.83 NPC1 (0.49) MEN1KMT2AKCNMA1NPC1L3MBTL1
SCHEMBL11591466 0.82 HDAC1 (0.60) MEN1KMT2ANPC1LMNATDP1
SCHEMBL11591085 0.82 HDAC1 (0.60) MEN1KMT2ANPC1LMNATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 US claimed
EP-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 EP disclosed
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 US disclosed