SCHEMBL8020561

SCHEMBL8020561

Fc1ccc(CONc2c3c(nc4ccccc24)CCCC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
GFER P55789 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
BCHE P06276 7/20 0.56
ACHE P22303 7/20 0.56
BACE1 P56817 2/20 0.55
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
APP P05067 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54

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
SCHEMBL7935359 0.93 BCHE (0.61) HTTBCHEACHEBACE1GABRP
SCHEMBL8020560 0.91 BCHE (0.60) HTTBCHEACHEBACE1GABRP
SCHEMBL7944948 0.90 KMT2A (0.64) HTTBCHEACHEBACE1KDM4E
SCHEMBL8004829 0.88 APP (0.58) BCHEACHEBACE1GABRPGABRD
SCHEMBL7935366 0.85 TP53 (0.57) TP53HTTSMN1; SMN2BCHEACHE
SCHEMBL7944432 0.81 BCHE (0.65) HTTBCHEACHEBACE1GABRP
SCHEMBL8013008 0.80 BCHE (0.53) BCHEACHEBACE1GABRPGABRD
SCHEMBL8017099 0.79 MEN1 (0.67) LMNAHTTBCHEACHEBACE1
SCHEMBL7935378 0.79 ACHE (0.60) BCHEACHEBACE1GABRPGABRD
SCHEMBL8018033 0.77 BCHE (0.58) BCHEACHEBACE1GABRPGABRD

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