SCHEMBL17677178

SCHEMBL17677178

O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)O[C@@H]1CO)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ P2RX3 P56373 2/20 0.55
▸ P2RX4 Q99571 2/20 0.55
▸ P2RX2 Q9UBL9 2/20 0.55
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ NPEPPS P55786 6/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ENPP1 P22413 1/20 0.45
▸ P2RX6 O15547 1/20 0.45
▸ P2RX1 P51575 1/20 0.45
▸ P2RX5 Q93086 1/20 0.45
▸ P2RY11 Q96G91 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ SLC29A1 Q99808 4/20 0.44
▸ ANPEP P15144 6/20 0.44
▸ STAT6 P42226 1/20 0.44

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
SCHEMBL29672354 1.00 LMNA (0.64) LMNAP2RX3P2RX4P2RX2ADORA2A
SCHEMBL29672348 1.00 LMNA (0.64) LMNAP2RX3P2RX4P2RX2ADORA2A
SCHEMBL18512597 0.92 LMNA (0.62) LMNAP2RX3P2RX4P2RX2ADORA2A
SCHEMBL16203604 0.92 LMNA (0.62) LMNAP2RX3P2RX4P2RX2ADORA2A
SCHEMBL13863569 0.91 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL13084357 0.91 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL14075778 0.91 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL13046095 0.91 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL13084426 0.87 LMNA (0.59) LMNAP2RX3P2RX4P2RX2ADORA2A
SCHEMBL17032321 0.87 LMNA (0.62) LMNAP2RX3P2RX4P2RX2ADORA2A

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
EP-2771344-B1 NUCLEOSIDE ANALOGUES FOR TREATING A VIRAL INFECTION, AND METHOD FOR EVALUATING THE SENSITIVITY TO SAID TREATMENT UNIVERSITÉ PIERRE ET MARIE CURIE PARIS 6 (FR) 2016-04-13 — — EP disclosed
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