SCHEMBL8645540

SCHEMBL8645540

Cn1c(=O)n(CF)c(=O)c2ncn(Cc3ccc(C(=O)c4ccc(Cl)cc4)cc3)c21

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
TRPC5 Q9UL62 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RX3 P56373 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8646878 0.91 LMNA (0.46) LMNAMAPK1SMN1; SMN2MAPTTRPC5
SCHEMBL8645652 0.90 LMNA (0.45) LMNAMAPK1SMN1; SMN2MAPTTRPC5
SCHEMBL8642267 0.88 LMNA (0.55) LMNAMAPK1SMN1; SMN2MAPTHTT
SCHEMBL8642085 0.88 LMNA (0.43) LMNAMAPK1SMN1; SMN2MAPTTRPC5
Hydrochloric Acid SCHEMBL8648397 0.87 LMNA (0.54) LMNAMAPK1SMN1; SMN2MAPTHTT
SCHEMBL8643702 0.84 LMNA (0.46) LMNAMAPK1SMN1; SMN2MAPTHTT
SCHEMBL7012058 0.83 LMNA (0.65) LMNAMAPK1SMN1; SMN2TRPC5HTT
SCHEMBL8643969 0.82 SMN1; SMN2 (0.44) LMNAMAPK1SMN1; SMN2TP53TDP1
SCHEMBL8645114 0.81 LMNA (0.54) LMNAMAPK1SMN1; SMN2MAPTHTT
SCHEMBL8645180 0.80 HTT (0.49) LMNAMAPK1SMN1; SMN2MAPTHTT

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