SCHEMBL10748824

SCHEMBL10748824

CC[S+]([O-])CCOc1ccc(-c2cn3c(n2)CCCC3)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
WDR5 P61964 11/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL10748933 0.85 WDR5 (0.51) HRH3WDR5LMNANPC1GAA
SCHEMBL10751194 0.84 HRH3 (0.47) HRH3WDR5LMNANPC1GAA
SCHEMBL10749506 0.81 WDR5 (0.60) HRH3WDR5LMNANPC1GAA
SCHEMBL10746724 0.81 WDR5 (0.44) HRH3WDR5LMNANPC1GAA
SCHEMBL10749754 0.81 TLR9 (0.39) HRH3TLR9TLR8TLR7POLB
SCHEMBL10746461 0.78 TLR9 (0.43) WDR5LMNANPC1GAARAB9A
SCHEMBL10750339 0.78 TLR9 (0.38) HRH3TLR9TLR8TLR7
SCHEMBL10749623 0.78 WDR5 (0.46) HRH3WDR5LMNANPC1GAA
SCHEMBL10792659 0.77 TLR9 (0.38) HRH3LMNANPC1GAARAB9A
SCHEMBL10751190 0.77 WDR5 (0.46) HRH3WDR5LMNANPC1GAA

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-4670445-A VASODILATORS ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed
US-4578387-A VASODILATION; DERIVATIVES OF 2-PHENYL-5,6,7,8-TETRAHYDROIMADAZO/1,2-A/PYRAZINE ELI LILLY AND COMPANY (US) 1986-03-25 US disclosed