SCHEMBL7145109

SCHEMBL7145109

COc1cc(C=NN)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP19A1 P11511 1/20 0.50
NQO2 P16083 1/20 0.50
TUBB4A P04350 4/20 0.48
TUBB P07437 4/20 0.48
TUBA3C P0DPH7 4/20 0.48
TUBA1B P68363 4/20 0.48

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
SCHEMBL2651010 0.87 PTGS2 (0.44) AMY1AHPGDSMN1; SMN2PTGS2ALDH1A1
SCHEMBL4452968 0.81 HPGD (0.56) AMY1AHPGDSMN1; SMN2PTGS2ALDH1A1
SCHEMBL4452966 0.81 HPGD (0.56) AMY1AHPGDSMN1; SMN2PTGS2ALDH1A1
SCHEMBL27955374 0.79 HPGD (0.54) AMY1AHPGDSMN1; SMN2PTGS2ALDH1A1
SCHEMBL15463039 0.79 HPGD (0.59) AMY1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3471744 0.79 HPGD (0.59) AMY1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3471747 0.79 HPGD (0.59) AMY1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL25322838 0.78 AMY1A (0.53) AMY1AHPGDSMN1; SMN2PTGS2ALDH1A1
SCHEMBL14047576 0.78 ALDH1A1 (0.57) PTGS2ALDH1A1KDM4EGAAMAPT
SCHEMBL3869469 0.78 ALDH1A1 (0.57) PTGS2ALDH1A1KDM4EGAAMAPT

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-20030158237-A1 Combination of antioxidant substances for the treatment of alzheimer's disease COLBA R & D INC. (CA) 2003-08-21 US disclosed