SCHEMBL8211501

SCHEMBL8211501

CC(O)N(CCN(C(C)O)C(C)O)Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LIN28A Q9H9Z2 1/20 0.49
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 1/20 0.40
PTPRA P18433 1/20 0.40
KCNA5 P22460 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR4 P61073 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 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
SCHEMBL8211631 0.94 TDP1 (0.55) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL29575247 0.88 TDP1 (0.67) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL8208725 0.88 TDP1 (0.67) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL8167442 0.87 MAPT (0.53) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL5427963 0.78 MAPT (0.50) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL10261336 0.77 MAPT (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL7095634 0.77 TDP1 (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL15695403 0.75 TDP1 (0.71) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL13303334 0.73 TDP1 (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL17914541 0.73 KCNA5 (0.58) TDP1MAPTSMN1; SMN2LIN28ACYP1A2

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-6022490-A FOR ACTIVATING PEROXY BLEACH LEVER BROTHERS COMPANY (US) 2000-02-08 US disclosed