SCHEMBL20097048

SCHEMBL20097048

[N-]=[N+]=NCC1OC(n2cnc3c(N)ncnc32)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.62
▸ ALDH1A1 P00352 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ P2RY12 Q9H244 2/20 0.47
▸ PDE2A O00408 1/20 0.47
▸ DOT1L Q8TEK3 2/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ P2RX3 P56373 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ P2RX2 Q9UBL9 1/20 0.45
▸ NT5E P21589 1/20 0.45

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
SCHEMBL20096659 0.85 AHCY (0.55) AHCYP2RY12PDE2ADOT1LADORA1
SCHEMBL5961364 0.84 PDE2A (0.64) AHCYP2RY12PDE2ADOT1LADORA1
SCHEMBL11427985 0.84 PDE2A (0.64) AHCYP2RY12PDE2ADOT1LADORA1
SCHEMBL6896076 0.80 ADORA1 (0.66) AHCYALDH1A1HIF1ADOT1LADORA1
SCHEMBL6896080 0.80 ADORA1 (0.66) AHCYALDH1A1HIF1ADOT1LADORA1
SCHEMBL20097216 0.79 DOT1L (0.58) AHCYDOT1LP2RX3P2RX4P2RX2
SCHEMBL14429057 0.79 PDE2A (0.59) AHCYP2RY12PDE2ADOT1LADORA1
SCHEMBL19927540 0.78 AHCY (0.53) AHCYALDH1A1HIF1AP2RY12DOT1L
SCHEMBL21565155 0.78 AHCY (0.53) AHCYALDH1A1HIF1AP2RY12DOT1L
SCHEMBL19927503 0.78 AHCY (0.69) AHCYALDH1A1HIF1ADOT1LADORA1

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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