SCHEMBL16152183

SCHEMBL16152183

NCCCC(=O)NCC#Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CA2 P00918 1/20 0.45
DTYMK P23919 4/20 0.45
ENPP1 P22413 2/20 0.42
TRPM2 O94759 1/20 0.42
P2RY1 P47900 1/20 0.42
PRMT5 O14744 2/20 0.41
METTL3 Q86U44 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL13552123 0.93 POLB (0.44) POLBCA2DTYMKENPP1TRPM2
SCHEMBL13654807 0.91 POLB (0.45) POLBCA2DTYMKENPP1TRPM2
SCHEMBL20417307 0.90 POLB (0.42) POLBCA2DTYMKENPP1TRPM2
SCHEMBL16152184 0.90 POLB (0.42) POLBCA2DTYMKENPP1TRPM2
SCHEMBL13554396 0.90 POLB (0.42) POLBCA2DTYMKENPP1TRPM2
SCHEMBL20417316 0.90 POLB (0.42) POLBCA2DTYMKENPP1TRPM2
SCHEMBL13552124 0.90 P2RY2 (0.38) POLBCA2DTYMK
SCHEMBL22327274 0.88 POLB (0.52) POLBCA2DTYMKENPP1TRPM2
SCHEMBL22415082 0.88 POLB (0.52) POLBCA2DTYMKENPP1TRPM2
SCHEMBL10022247 0.88 POLB (0.52) POLBCA2DTYMKENPP1TRPM2

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