SCHEMBL10748933

SCHEMBL10748933

CCOc1ccc(-c2cn3c(n2)CCCC3)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 11/20 0.51
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CRHR1 P34998 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL10749506 0.89 WDR5 (0.60) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10751194 0.86 HRH3 (0.47) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10748824 0.85 HRH3 (0.44) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10751190 0.84 WDR5 (0.46) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10746724 0.80 WDR5 (0.44) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10749623 0.78 WDR5 (0.46) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10747230 0.78 WDR5 (0.46) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10750669 0.78 WDR5 (0.53) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10746716 0.77 WDR5 (0.45) WDR5LMNANPC1RAB9AKMT2A
SCHEMBL10748448 0.77 ALDH1A1 (0.41) WDR5LMNANPC1RAB9AKMT2A

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