Sugi Predict

Sugi Predict / Compounds / SCHEMBL4074822

SCHEMBL4074822

SCHEMBL4074822

COc1ccc(C(OC[C@@]23CN(C(=O)COc4ccccc4)O[C@@H]([C@H](n4ccc(NC(=O)c5ccccc5)nc4=O)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.31
▸ P2RY14 Q15391 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL4074674 0.93 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL1098191 0.89 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL4402273 0.89 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL6441180 0.88 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL1665483 0.84 ABL1 (0.35) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL1665298 0.84 ABL1 (0.35) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL1667971 0.84 P2RY6 (0.35) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL1665732 0.84 P2RY6 (0.35) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL4083482 0.83 P2RY6 (0.39) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL14066103 0.83 MEN1 (0.30) —

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
US-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed