SCHEMBL3290989

SCHEMBL3290989

Nc1ccc(OP(=O)(O)O)c(N)c1N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 12/20 0.54
INPP5A Q14642 6/20 0.54
AKT1 P31749 1/20 0.54
INPP5B P32019 2/20 0.48
SRC P12931 4/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
FBP1 P09467 1/20 0.33
BLM P54132 1/20 0.32

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
SCHEMBL3290982 0.83 CYP3A4 (0.32) INPPL1INPP5AAKT1
SCHEMBL10434175 0.82 INPPL1 (0.52) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL2851716 0.82 INPPL1 (0.59) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL2547022 0.75 IDO1 (0.53) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL1771611 0.73 INPPL1 (0.52) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL30433430 0.73 INPPL1 (0.52) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL29188146 0.73 INPPL1 (0.52) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL569537 0.72 INPPL1 (0.57) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL8385812 0.72 INPPL1 (0.50) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL28678394 0.71 INPPL1 (0.55) INPPL1INPP5AAKT1INPP5BSRC

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
US-7723460-B2 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2010-05-25 US disclosed
US-20070148465-A1 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2007-06-28 US disclosed