SCHEMBL8091658

SCHEMBL8091658

Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1.Nc1ccc(OCCO)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
GAA P10253 3/20 0.61
TP53 P04637 2/20 0.61
POLB P06746 2/20 0.61
USP2 O75604 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
CASP1 P29466 1/20 0.61
HTT P42858 1/20 0.61
CASP7 P55210 1/20 0.61
KMT2A Q03164 1/20 0.61
ATM Q13315 1/20 0.61
PRSS1 P07477 8/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.41
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 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
SCHEMBL29358757 0.96 MAPT (0.65) MAPTGAATP53POLBUSP2
SCHEMBL35916 0.96 MAPT (0.65) MAPTGAATP53POLBUSP2
Hydrochloric Acid SCHEMBL1453993 0.94 GAA (0.68) MAPTGAATP53POLBUSP2
Ammonia Solution, Strong SCHEMBL27977263 0.94 MAPT (0.62) MAPTGAATP53POLBUSP2
Hydrochloric Acid SCHEMBL29356501 0.94 GAA (0.68) MAPTGAATP53POLBUSP2
Hydrochloric Acid SCHEMBL29378616 0.94 GAA (0.68) MAPTGAATP53POLBUSP2
Hydrochloric Acid SCHEMBL33976 0.94 GAA (0.68) MAPTGAATP53POLBUSP2
Hydrochloric Acid SCHEMBL29148900 0.93 GAA (0.66) MAPTGAATP53POLBUSP2
Hydrochloric Acid SCHEMBL22612486 0.93 MAPT (0.61) MAPTGAATP53POLBUSP2
SCHEMBL453935 0.91 GAA (0.62) MAPTGAATP53POLBUSP2

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-6102974-A MIXTURE OF OXIDATION DAYE AND 2-AMINO-6-CHLORO-4-NITROPHENOL WELLA AKTIENGESELLSCHAFT (DE) 2000-08-15 US claimed