SCHEMBL19777575

SCHEMBL19777575

COC1C(OC(=O)c2ccccc2)[C@@H](COP(=S)(OCCC#N)OC2C[C@H](N/C=C(\C(C)=O)c3ccccc3)O[C@@H]2CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RX2 Q9UBL9 2/20 0.41
▸ PRMT6 Q96LA8 1/20 0.39
▸ ENPP1 P22413 1/20 0.36
▸ P2RY12 Q9H244 10/20 0.36
▸ P2RX6 O15547 1/20 0.35
▸ P2RX1 P51575 1/20 0.35
▸ P2RX5 Q93086 1/20 0.35
▸ P2RY11 Q96G91 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL21389676 0.84 P2RX3 (0.41) P2RX3P2RX4P2RX2PRMT6ENPP1
SCHEMBL23624816 0.81 P2RY12 (0.49) P2RX3P2RX4P2RX2P2RY12ADORA1
SCHEMBL19780111 0.80 P2RX3 (0.41) P2RX3P2RX4P2RX2PRMT6ENPP1
SCHEMBL21389679 0.80 P2RX3 (0.41) P2RX3P2RX4P2RX2PRMT6ENPP1
SCHEMBL19777697 0.80 P2RX3 (0.41) P2RX3P2RX4P2RX2PRMT6ENPP1
SCHEMBL19780271 0.80 P2RX3 (0.41) P2RX3P2RX4P2RX2PRMT6ENPP1
SCHEMBL13020692 0.78 LMNA (0.43) P2RX3P2RX4P2RX2PRMT6ENPP1
SCHEMBL23624675 0.78 P2RY12 (0.47) P2RX3P2RX4P2RX2P2RY12ADORA1
SCHEMBL13020686 0.77 P2RX3 (0.53) P2RX3P2RX4P2RX2PRMT6ENPP1
SCHEMBL21389678 0.77 TYMP (0.38) P2RX3P2RX4P2RX2PRMT6ENPP1

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-2018013887-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE SPEROVIE BIOSCIENCES, INC. (US) 2018-01-18 — — WO disclosed
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