SCHEMBL17597174

SCHEMBL17597174

CC(C)N(C(C)C)[PH](O)(CCC#N)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
P2RY2 P41231 1/20 0.47
P2RY4 P51582 1/20 0.47
P2RY6 Q15077 1/20 0.47
HINT1 P49773 4/20 0.43
TYMP P19971 1/20 0.41
F2 P00734 2/20 0.40
NT5E P21589 2/20 0.40
POLA1 P09884 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FUT5 Q11128 1/20 0.39
PNP P00491 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL1919146 0.87 HINT1 (0.58) HINT1NT5EFUT5PNP
SCHEMBL3278964 0.85 KDM4E (0.48) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL17597173 0.81 POLB (0.56) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL8057804 0.80 POLB (0.65) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL3751858 0.80 POLB (0.67) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL3744960 0.79 POLB (0.68) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL338650 0.79 POLB (0.70) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL16359949 0.79 POLB (0.70) POLBP2RY2P2RY4P2RY6HINT1
SCHEMBL30591564 0.79 HINT1 (0.49) HINT1NT5EFUT5PNP
SCHEMBL367384 0.79 POLB (0.65) POLBP2RY2P2RY4P2RY6HINT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191605-A1 A DROPLET-BASED METHOD AND APPARATUS FOR COMPOSITE SINGLE-CELL NUCLEIC ACID ANALYSIS The Broad Institute, Inc. (US) 2017-07-19 EP disclosed
WO-2016040476-A1 A DROPLET-BASED METHOD AND APPARATUS FOR COMPOSITE SINGLE-CELL NUCLEIC ACID ANALYSIS THE BROAD INSTITUTE, INC. (US) 2016-03-17 WO disclosed