SCHEMBL16152145

SCHEMBL16152145

Nc1ncnc2c1c(CCC(=O)NCCCCCCNC(=O)C(F)(F)F)cn2[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TRPM2 O94759 1/20 0.42
DTYMK P23919 4/20 0.41
ENPP1 P22413 3/20 0.40
P2RY1 P47900 1/20 0.40
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
ATG7 O95352 2/20 0.39
AURKA O14965 2/20 0.39
EP300 Q09472 2/20 0.39
CHAT P28329 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
NAA50 Q9GZZ1 1/20 0.39
JAK2 O60674 1/20 0.38

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
SCHEMBL13554340 1.00 POLB (0.45) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL13552119 0.92 POLB (0.47) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL16152144 0.92 POLB (0.47) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL13552115 0.91 POLB (0.47) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL13552120 0.91 POLB (0.46) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL16152146 0.91 POLB (0.46) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL13554396 0.85 POLB (0.42) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL16152184 0.85 POLB (0.42) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL10051912 0.80 POLB (0.58) POLBTRPM2DTYMKENPP1P2RY1
SCHEMBL19033185 0.80 POLB (0.60) POLBTRPM2DTYMKENPP1P2RY1

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-8853373-B2 Method and reagent for gene sequence analysis HITACHI, LTD. (JP) 2014-10-07 US disclosed