SCHEMBL19840347

SCHEMBL19840347

C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)OCC4c5ccccc5-c5ccccc54)nc32)CC1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ POLA1 P09884 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HINT1 P49773 3/20 0.40
▸ TYMP P19971 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE5A O76074 3/20 0.37
▸ PDE1A P54750 3/20 0.37
▸ PDE1B Q01064 3/20 0.37
▸ PDE1C Q14123 3/20 0.37
▸ P2RY2 P41231 1/20 0.36
▸ P2RY4 P51582 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36
▸ EPHX2 P34913 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
SCHEMBL12920214 0.95 TAS1R3 (0.45) TAS1R3TAS1R1POLA1KDM4EMEN1
SCHEMBL412282 0.95 TAS1R3 (0.45) TAS1R3TAS1R1POLA1KDM4EMEN1
SCHEMBL3180060 0.91 POLA1 (0.54) TAS1R3TAS1R1POLA1KDM4EHINT1
SCHEMBL12729619 0.91 POLA1 (0.54) TAS1R3TAS1R1POLA1KDM4EHINT1
SCHEMBL3180065 0.91 POLA1 (0.54) TAS1R3TAS1R1POLA1KDM4EHINT1
SCHEMBL19840345 0.83 ADORA3 (0.47) —
SCHEMBL13930552 0.83 POLA1 (0.49) TAS1R3TAS1R1POLA1KDM4EHINT1
SCHEMBL3188499 0.83 POLA1 (0.41) TAS1R3TAS1R1POLA1KDM4EMEN1
SCHEMBL14062476 0.81 KMT2A (0.43) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL1971985 0.81 TAS1R3 (0.56) TAS1R3TAS1R1HINT1

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-9884885-B2 Synthesis of labile base protected-modified deoxy and modified ribo nucleosides, corresponding phosphoramidites and supports and their use in high purity oligonucleotide synthesis CHEMGENES CORPORATION (US) 2018-02-06 — — US disclosed
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