SCHEMBL9575152

SCHEMBL9575152

CCc1cc(CNC(=O)C(=O)NN)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.50
GAA P10253 7/20 0.48
KMT2A Q03164 3/20 0.42
GSR P00390 2/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TSHR P16473 3/20 0.36
HIF1A Q16665 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9575137 0.90 GAA (0.57) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL9575286 0.81 GAA (0.43) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL14000572 0.76 HSPA5 (0.58) HSPA5GAAKMT2AGSRALDH1A1
SCHEMBL9575147 0.76 GAA (0.62) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL57329 0.76 HSPA5 (0.82) HSPA5GAAKMT2AGSRALDH1A1
SCHEMBL10944546 0.75 HSPA5 (0.64) HSPA5GAAKMT2AGSRALDH1A1
SCHEMBL14000566 0.74 HSPA5 (0.59) HSPA5GAAKMT2AGSRALDH1A1
SCHEMBL2349337 0.74 HSPA5 (0.73) HSPA5GAAKMT2AGSRALDH1A1
SCHEMBL9575245 0.74 GAA (0.64) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL27792864 0.73 GSR (0.54) GAAKMT2AGSRALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303280-B1 PHENOLIC ANTIOXIDANT HYDRAZIDES ATOCHEM NORTH AMERICA, INC. (US) 1993-03-24 EP disclosed
EP-0303280-A2 Phenolic antioxidant hydrazides ATOCHEM NORTH AMERICA, INC. (US) 1989-02-15 EP disclosed
US-4801749-A Phenolic antioxidant hydrazides PENNWALT CORPORATION (US) 1989-01-31 US disclosed