SCHEMBL9566451

SCHEMBL9566451

Nc1nc(NC(=O)c2cccnc2)nc(-c2ccccc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
MEN1 O00255 3/20 0.48
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
KCNK3 O14649 1/20 0.44
EPHA2 P29317 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL10483366 0.88 NPC1 (0.51) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL9566577 0.88 NPC1 (0.54) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL10822593 0.88 NPC1 (0.48) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL10483482 0.88 MEN1 (0.55) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL9566558 0.87 NPC1 (0.49) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL9566406 0.86 HDAC1 (0.53) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL10483542 0.85 ALDH1A1 (0.51) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL11591466 0.84 HDAC1 (0.60) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL11591085 0.84 HDAC1 (0.60) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL8413034 0.83 HDAC1 (0.56) SMN1; SMN2KMT2ALMNANPC1RAB9A

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