SCHEMBL9808340

SCHEMBL9808340

C=N.CCN(CC)c1ccc(O)cc1.CCN(CC)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PSMD14 O00487 1/20 0.52
RECQL P46063 1/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 5/20 0.49
ESRRG P62508 4/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
ESRRB O95718 1/20 0.49
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46

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
SCHEMBL387884 0.93 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL6546134 0.91 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
SCHEMBL10355424 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
Sulfuric Acid SCHEMBL11688477 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
SCHEMBL9773083 0.81 MAPT (0.54) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
SCHEMBL10779112 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
SCHEMBL13264731 0.81 APP (0.62) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
4-Aminophenol SCHEMBL11496760 0.81 ALDH1A1 (0.76) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
SCHEMBL15145185 0.81 VCP (0.58) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1
SCHEMBL9773079 0.81 MAPT (0.54) ALDH1A1CYP3A4TSHRL3MBTL1MAPK1

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-4985174-A Reticulocyte quantitating reagent for flow cytometry TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1991-01-15 US disclosed