SCHEMBL9735885

SCHEMBL9735885

Nc1c2c(nc3ccccc13)COCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.62
BCHE P06276 5/20 0.62
HSD17B10 Q99714 4/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CHRM2 P08172 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
CHRM1 P11229 2/20 0.62
SLC6A2 P23975 2/20 0.62
OPRM1 P35372 2/20 0.62
KCNH2 Q12809 2/20 0.62
CACNB4 O00305 1/20 0.62
CACNA1A O00555 1/20 0.62
SLC22A2 O15244 1/20 0.62
SLC22A1 O15245 1/20 0.62
ABCC4 O15439 1/20 0.62

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
SCHEMBL9735659 0.91 ACHE (0.68) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9734944 0.89 ACHE (0.69) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9167709 0.88 ACHE (0.62) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9737220 0.82 ACHE (0.68) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9168351 0.81 ACHE (0.65) ACHEBCHECHRM1GRIN1GRIN2A
Fumaric Acid SCHEMBL9170862 0.78 TSHR (0.69) ACHEBCHEHSD17B10ALDH1A1TSHR
Fumaric Acid SCHEMBL9170857 0.78 TSHR (0.69) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9735562 0.78 FABP6 (0.43) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL5047992 0.77 ACHE (1.00) ACHEBCHEHSD17B10ALDH1A1TSHR
Tacrine SCHEMBL2828 0.77 ACHE (1.00) ACHEBCHEHSD17B10ALDH1A1TSHR

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