SCHEMBL19780111

SCHEMBL19780111

CO[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](COP(=O)(OCCC#N)OC2C[C@H](n3cc(-c4ccccc4)c(=O)[nH]c3=O)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
▸ RNASE1 P07998 1/20 0.41
▸ TYMS P04818 2/20 0.39
▸ P2RX6 O15547 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ P2RX5 Q93086 1/20 0.38
▸ P2RY11 Q96G91 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.37
▸ P2RY12 Q9H244 4/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ DTYMK P23919 2/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL21389679 1.00 P2RX3 (0.41) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL19777697 1.00 P2RX3 (0.41) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL19780271 1.00 P2RX3 (0.41) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL21389676 0.96 P2RX3 (0.41) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL21389670 0.92 TYMP (0.38) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL19777696 0.92 TYMP (0.38) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL21389678 0.88 TYMP (0.38) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL19777694 0.88 TYMP (0.38) P2RX3P2RX4P2RX2RNASE1TYMS
SCHEMBL21389685 0.83 P2RX3 (0.34) P2RX3P2RX4P2RX2TYMSP2RX6
SCHEMBL21636130 0.80 RNASE1 (0.44) RNASE1F2POLBDTYMK

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-2018013908-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE SPEROVIE BIOSCIENCES, INC. (US) 2018-01-18 — — WO disclosed
Send feedback