SCHEMBL8089431

SCHEMBL8089431

Nc1cccc(OP(=O)(Oc2cccc(N)c2N)Oc2cccc(N)c2N)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
RECQL P46063 1/20 0.38
INPPL1 O15357 1/20 0.38
INPP5B P32019 1/20 0.38
INPP5A Q14642 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 4/20 0.33
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PIK3CA P42336 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
SCHEMBL2851716 0.83 INPPL1 (0.59) ALDH1A1INPPL1INPP5BINPP5AHPGD
SCHEMBL1699762 0.82 ALDH1A1 (0.50) ALDH1A1LMNARECQLINPPL1INPP5B
SCHEMBL3290982 0.80 CYP3A4 (0.32) INPPL1INPP5ACYP3A4TSHR
SCHEMBL5334635 0.74 ALDH1A1 (0.46) ALDH1A1LMNARECQLINPPL1INPP5B
SCHEMBL711288 0.74 CD44 (0.46) CD44ALDH1A1LMNAMAPTTDP1
SCHEMBL14053130 0.74 TDP1 (0.44) ALDH1A1RECQLMAPTTDP1SMN1; SMN2
SCHEMBL4444820 0.74 ALDH1A1 (0.45) ALDH1A1LMNARECQLINPPL1INPP5B
SCHEMBL2865120 0.71 CD44 (0.39) CD44ALDH1A1MAPTTDP1ADRA2B
SCHEMBL28347236 0.71 ALDH1A1 (0.54) ALDH1A1LMNARECQLMAPTTDP1
SCHEMBL28790810 0.71 ALDH1A1 (0.43) ALDH1A1LMNARECQLINPPL1INPP5B

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
JP-2000154277-A FLAME-RETARDANT RESIN COMPOSITION SHIKOKU CHEM CORP 2000-06-06 JP disclosed