SCHEMBL9735562

SCHEMBL9735562

Nc1c2c(nc3ccc(C(=O)c4ccccc4)cc13)COCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.43
ABL1 P00519 1/20 0.43
ACHE P22303 15/20 0.43
BCHE P06276 11/20 0.43
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ABCC4 O15439 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL9735885 0.78 ACHE (0.62) FABP6ACHEBCHETSHRHSD17B10
SCHEMBL9735659 0.71 ACHE (0.68) FABP6ACHEBCHETSHRHSD17B10
SCHEMBL9734944 0.69 ACHE (0.69) FABP6ACHEBCHETSHRHSD17B10
SCHEMBL9748752 0.68 ACHE (0.72) ACHEBCHEGRIN1GRIN2ACHRM1
Fumaric Acid SCHEMBL9170862 0.68 TSHR (0.69) FABP6ACHEBCHETSHRHSD17B10
Fumaric Acid SCHEMBL9170857 0.68 TSHR (0.69) FABP6ACHEBCHETSHRHSD17B10
SCHEMBL9167709 0.67 ACHE (0.62) FABP6ACHEBCHETSHRHSD17B10
SCHEMBL23202886 0.65 ALDH1A1 (0.48) FABP6ABL1NPC1SMN1; SMN2MAPT
SCHEMBL30827908 0.65 ALDH1A1 (0.48) FABP6ABL1NPC1SMN1; SMN2MAPT
SCHEMBL4595649 0.64 MAPT (0.51) FABP6ABL1NPC1SMN1; SMN2NPSR1

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-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 US claimed