SCHEMBL8004824

SCHEMBL8004824

CONc1c2c(nc3ccccc13)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
ACHE P22303 4/20 0.60
BCHE P06276 3/20 0.60
NPC1 O15118 2/20 0.60
POLB P06746 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 2/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
PABPC1 P11940 1/20 0.59
EIF4H Q15056 1/20 0.59
TP53 P04637 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
GFER P55789 2/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL7941639 0.97 ACHE (0.61) KMT2AMEN1ACHEBCHEMAPT
Hydrochloric Acid SCHEMBL7946348 0.96 KMT2A (0.62) KMT2AMEN1ACHEBCHEPOLB
SCHEMBL7944955 0.96 BCHE (0.61) KMT2AMEN1ACHEBCHEMAPT
SCHEMBL7944948 0.81 KMT2A (0.64) KMT2AMEN1ACHEBCHEKDM4E
SCHEMBL16684277 0.80 ACHE (0.66) KMT2AACHEBCHE
SCHEMBL7935344 0.80 KMT2A (0.68) KMT2AMEN1ACHEBCHEPOLB
SCHEMBL29522722 0.80 ACHE (0.66) KMT2AACHEBCHE
SCHEMBL7935378 0.80 ACHE (0.60) ACHEBCHE
SCHEMBL5470535 0.79 KMT2A (1.00) KMT2AMEN1ACHEBCHENPC1
SCHEMBL7935359 0.78 BCHE (0.61) KMT2AMEN1ACHEBCHEKDM4E

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-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed