SCHEMBL8645652

SCHEMBL8645652

CCCn1c(=O)c2ncn(Cc3ccc(C(=O)c4ccc(Cl)cc4)cc3)c2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TRPC5 Q9UL62 2/20 0.40
HTT P42858 2/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL8642085 0.94 LMNA (0.43) LMNAMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL8646878 0.93 LMNA (0.46) LMNAMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL8645540 0.90 LMNA (0.45) LMNAMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL8642267 0.88 LMNA (0.55) LMNAMAPK1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL8648397 0.87 LMNA (0.54) LMNAMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL8643702 0.84 LMNA (0.46) LMNAMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL8643969 0.84 SMN1; SMN2 (0.44) LMNAMAPK1SMN1; SMN2TP53TDP1
SCHEMBL7013136 0.83 LMNA (0.65) LMNAMAPK1SMN1; SMN2MAPTHTT
SCHEMBL8648439 0.80 BRD4 (0.44) LMNAMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL8645180 0.80 HTT (0.49) LMNAMAPK1SMN1; SMN2MAPTALDH1A1

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-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed