SCHEMBL9736923

SCHEMBL9736923

CN(C)CCNc1c2c(nc3ccccc13)CCCS2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.69
EIF4H Q15056 1/20 0.69
HRH3 Q9Y5N1 4/20 0.67
RAD52 P43351 2/20 0.58
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58
ACHE P22303 7/20 0.57
BCHE P06276 2/20 0.54
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
SLC2A1 P11166 1/20 0.52
APOBEC3A P31941 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52

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
Hydrochloric Acid SCHEMBL31087706 0.81 PABPC1 (0.97) PABPC1EIF4HHRH3RAD52HRH2
SCHEMBL9874867 0.78 PABPC1 (0.71) PABPC1EIF4HHRH3RAD52HRH2
SCHEMBL9165814 0.77 ACHE (0.56) RAD52ACHEBCHEPOLBKMT2A
SCHEMBL9735163 0.77 BCHE (0.60) HRH3ACHEBCHE
SCHEMBL9875581 0.76 PABPC1 (0.65) PABPC1EIF4HHRH3
Hydrochloric Acid SCHEMBL31087709 0.74 RAD52 (1.00) PABPC1EIF4HHRH3RAD52HRH2
SCHEMBL9171253 0.74 KMT2A (0.59) HRH3RAD52ACHEBCHEPOLB
SCHEMBL12300220 0.73 PABPC1 (0.71) PABPC1EIF4HHRH3RAD52HRH2
SCHEMBL9209834 0.72 ACHE (0.59) ACHEBCHERAB9A
SCHEMBL2373611 0.71 PABPC1 (0.64) PABPC1EIF4HHRH3RAD52HRH2

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