SCHEMBL7935344

SCHEMBL7935344

ONc1c2c(nc3ccccc13)CCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
BCHE P06276 6/20 0.65
ACHE P22303 6/20 0.65
HTT P42858 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
TP53 P04637 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
GFER P55789 1/20 0.62
GABRP O00591 1/20 0.61
GABRD O14764 1/20 0.61
APP P05067 1/20 0.61
GABRA1 P14867 1/20 0.61
GABRB1 P18505 1/20 0.61
GABRG2 P18507 1/20 0.61
GABRB3 P28472 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61

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
SCHEMBL7945036 0.97 BCHE (0.65) KMT2ABCHEACHEGABRPGABRD
SCHEMBL7935348 0.95 BCHE (0.66) KMT2ABCHEACHEGABRPGABRD
SCHEMBL16684277 0.81 ACHE (0.66) KMT2ABCHEACHEGABRPGABRD
SCHEMBL29522722 0.81 ACHE (0.66) KMT2ABCHEACHEGABRPGABRD
SCHEMBL8004824 0.80 KMT2A (0.64) KMT2ABCHEACHEHTTKDM4E
SCHEMBL9208663 0.80 HTT (0.74) BCHEACHEHTTKDM4EGAA
SCHEMBL13480595 0.79 BCHE (0.76) BCHEACHEGABRPGABRDAPP
SCHEMBL8473136 0.79 HTT (0.69) BCHEACHEHTTKDM4EGAA
SCHEMBL8022948 0.79 MEN1 (0.97) KMT2ABCHEACHEHTTKDM4E
SCHEMBL9748544 0.78 CACNA2D1 (0.63) KMT2ABCHEACHEGABRPGABRD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248750-B1 CHOLINERGIC FUNCTION AGONISTS FOR MEMORY ENHANCEMENT HOECHST ROUSSEL PHARMACEUTICALS 2001-06-19 US claimed
US-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed