SCHEMBL8134520

SCHEMBL8134520

CC(C)COc1ccc(N)cc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
GAA P10253 3/20 0.73
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
CASP1 P29466 2/20 0.58
USP2 O75604 2/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
CASP7 P55210 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
XDH P47989 2/20 0.49
CYP2C19 P33261 1/20 0.46
TLR8 Q9NR97 1/20 0.45
KDM1A O60341 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL11234372 0.89 GAA (0.58) ALDH1A1GAAMAPTKDM4ECASP1
SCHEMBL9570228 0.86 ALDH1A1 (0.96) ALDH1A1GAAMAPTKDM4ECASP1
SCHEMBL9651420 0.85 CYP2C19 (0.63) ALDH1A1GAAMAPTKDM4ECASP1
Hydrochloric Acid SCHEMBL9760551 0.84 CYP2C19 (0.61) ALDH1A1GAAMAPTKDM4ECASP1
SCHEMBL3380493 0.84 GAA (0.53) ALDH1A1GAAMAPTKDM4ECASP1
SCHEMBL5866593 0.83 ALDH1A1 (0.71) ALDH1A1GAAMAPTKDM4ECASP1
SCHEMBL11150521 0.82 GAA (0.55) ALDH1A1GAAMAPTKDM4ECASP1
SCHEMBL9201982 0.82 GAA (0.51) ALDH1A1GAAMAPTKDM4ECASP1
SCHEMBL358044 0.81 KDM1A (0.57) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL17366264 0.81 ALDH1A1 (0.69) ALDH1A1GAAMAPTKDM4ECASP1

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-6051677-A Gas separating membrane having a polycarbodiimide resin layer NITTO DENKO CORPORATION (JP) 2000-04-18 US disclosed