SCHEMBL15031043

SCHEMBL15031043

O=C(OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)C[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TP53 P04637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.47
UPP1 Q16831 1/20 0.44
PNP P00491 1/20 0.42
HTT P42858 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RNASE1 P07998 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
NT5E P21589 3/20 0.41
P2RY1 P47900 1/20 0.40

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
SCHEMBL3956850 1.00 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13664950 1.00 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3956852 1.00 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL14614375 0.92 POLB (0.46) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13664951 0.92 POLB (0.46) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3948848 0.92 POLB (0.46) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3948851 0.92 POLB (0.46) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL6559406 0.91 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL6559404 0.91 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL7200818 0.91 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1

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-8466275-B2 Method for the preparation of 2-halo-2′-deoxyadenosine compounds from 2′-deoxyguanosine BRIGHAM YOUNG UNIVERSITY (US) 2013-06-18 US disclosed