SCHEMBL4338084

SCHEMBL4338084

COc1ccc(C(OC[C@H]2SC(n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.43
P2RY14 Q15391 2/20 0.43
NT5E P21589 1/20 0.43
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
ADORA3 P0DMS8 6/20 0.40
POLB P06746 1/20 0.40
TYMP P19971 1/20 0.39
F2 P00734 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
MAPK14 Q16539 1/20 0.35
CDKN1A P38936 1/20 0.35
P2RX3 P56373 1/20 0.34
ADORA1 P30542 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL1055228 1.00 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1054333 0.94 P2RY6 (0.44) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1052213 0.92 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1054670 0.87 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL6928957 0.84 P2RY6 (0.55) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL12636350 0.84 P2RY6 (0.48) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4338085 0.82 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL31390238 0.82 P2RY6 (0.50) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL7268016 0.80 P2RY6 (0.52) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL8038972 0.80 ABL1 (0.43) P2RY6P2RY14NT5EABL1RIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677822-A4 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2009-08-19 EP disclosed
EP-1677822-A2 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
WO-2005027962-A1 4’-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed