SCHEMBL9735758

SCHEMBL9735758

Nc1c2c(nc3ccccc13)C1CCC2O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
BCHE P06276 2/20 0.57
ALDH1A1 P00352 3/20 0.47
KCNH2 Q12809 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
NQO2 P16083 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL9107151 0.76 ACHE (0.82) ACHEBCHEALDH1A1KCNH2KDM4E
SCHEMBL8781795 0.73 ACHE (0.62) ACHEBCHEALDH1A1KCNH2KDM4E
SCHEMBL9106523 0.73 ACHE (1.00) ACHEBCHEALDH1A1KCNH2KDM4E
SCHEMBL16381051 0.73 NUDT1 (0.41) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL9108559 0.73 ACHE (0.59) ACHEBCHEALDH1A1KCNH2KDM4E
Hydrochloric Acid SCHEMBL10656143 0.72 ACHE (0.97) ACHEBCHEALDH1A1KCNH2KDM4E
SCHEMBL9583492 0.70 ACHE (0.59) ACHEBCHEALDH1A1KCNH2KDM4E
SCHEMBL4782557 0.68 ACHE (0.53) ACHEBCHEALDH1A1KCNH2KDM4E
SCHEMBL9172816 0.68 ACHE (0.63) ACHEBCHEALDH1A1KCNH2KDM4E
SCHEMBL9171459 0.68 ACHE (0.63) ACHEBCHEALDH1A1KCNH2KDM4E

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