SCHEMBL9566577

SCHEMBL9566577

Nc1nc(NC(=O)c2cccnc2)nc(-c2cc(Cl)ccc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KCNMA1 Q12791 1/20 0.52
HTR2B P41595 1/20 0.51
PDE4D Q08499 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 3/20 0.47
CDK9 P50750 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
CSF1R P07333 1/20 0.46
MAPT P10636 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
SCHEMBL10483482 0.91 MEN1 (0.55) NPC1RAB9AKCNMA1L3MBTL1KMT2A
SCHEMBL9566451 0.88 SMN1; SMN2 (0.56) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL9566586 0.88 HTR2B (0.57) NPC1RAB9AKCNMA1HTR2BPDE4D
SCHEMBL10483366 0.87 NPC1 (0.51) NPC1RAB9AKCNMA1L3MBTL1KMT2A
SCHEMBL10822593 0.85 NPC1 (0.48) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL9566457 0.84 SMN1; SMN2 (0.55) NPC1RAB9AKCNMA1KMT2AMEN1
SCHEMBL9566608 0.83 NPC1 (0.58) NPC1RAB9AKCNMA1L3MBTL1KMT2A
SCHEMBL9566631 0.83 MEN1 (0.56) NPC1RAB9AKCNMA1L3MBTL1KMT2A
SCHEMBL9566558 0.82 NPC1 (0.49) NPC1RAB9AKCNMA1L3MBTL1KMT2A
SCHEMBL11591085 0.81 HDAC1 (0.60) NPC1RAB9AKMT2AMEN1HTT

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-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 EP disclosed