SCHEMBL16299253

SCHEMBL16299253

CCNC(CCCCNI)C(=O)NCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ P2RY1 P47900 4/20 0.50
▸ ENPP1 P22413 3/20 0.50
▸ DTYMK P23919 4/20 0.49
▸ P2RY2 P41231 2/20 0.46
▸ P2RX1 P51575 2/20 0.46
▸ P2RX3 P56373 2/20 0.46
▸ P2RX2 Q9UBL9 2/20 0.46
▸ SRC P12931 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ EP300 Q09472 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ KAT5 Q92993 1/20 0.45
▸ TRPM2 O94759 1/20 0.45
▸ AURKA O14965 2/20 0.45

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
SCHEMBL10055646 0.85 POLB (0.56) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL16280904 0.85 POLB (0.56) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL13111573 0.80 POLB (0.69) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL16280905 0.80 POLB (0.69) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL10055622 0.80 POLB (0.69) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL13127042 0.80 POLB (0.69) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL31309537 0.78 POLB (0.70) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL5044161 0.77 POLB (0.80) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL78250 0.77 POLB (0.80) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL14471000 0.77 POLB (0.80) POLBP2RY1ENPP1DTYMKP2RY2

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
WO-2012027625-A2 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 — — WO disclosed
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