SCHEMBL7070318

SCHEMBL7070318

OC[C@H]1O[C@@H](n2cc(-c3ccco3)c3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 4/20 0.69
▸ SIGMAR1 Q99720 3/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ OPRK1 P41145 1/20 0.69
▸ HTR6 P50406 1/20 0.69
▸ TMEM97 Q5BJF2 1/20 0.69
▸ ADK P55263 11/20 0.64
▸ TP53 P04637 3/20 0.62
▸ ADORA3 P0DMS8 2/20 0.62
▸ SLC29A1 Q99808 2/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ PAX8 Q06710 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MITF O75030 1/20 0.55
▸ LMNA P02545 1/20 0.55

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
SCHEMBL7070066 0.89 ADK (0.79) HTR2BSIGMAR1ADRA2COPRK1HTR6
SCHEMBL17800845 0.87 ADK (0.66) ADKTP53ADORA3SLC29A1PAX8
SCHEMBL8331212 0.84 ADK (0.71) HTR2BSIGMAR1ADRA2COPRK1HTR6
SCHEMBL8332977 0.82 ADORA3 (0.69) HTR2BSIGMAR1ADRA2COPRK1HTR6
SCHEMBL16968462 0.82 DOT1L (0.71) ADKTP53TDP1PAX8
SCHEMBL6838180 0.82 ADK (0.72) ADKTP53SLC29A1TDP1
SCHEMBL6426263 0.82 DOT1L (0.71) ADKTP53TDP1PAX8
SCHEMBL13092047 0.82 DOT1L (0.71) ADKTP53TDP1PAX8
SCHEMBL16978208 0.82 DOT1L (0.71) ADKTP53TDP1PAX8
SCHEMBL17800867 0.82 ADK (0.67) ADKTP53SLC29A1TDP1

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
WO-2003051899-A1 DEAZAPURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS RIBAPHARM INC. (US) 2003-06-26 — — WO disclosed
Send feedback