SCHEMBL9770481

SCHEMBL9770481

O=[N+]([O-])c1ccc(OCC(O)CSc2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.60
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
DRD4 P21917 1/20 0.43
CYP19A1 P11511 1/20 0.42
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL9770570 0.86 BACE1 (0.76) BACE1SMN1; SMN2KMT2AMAPTPOLB
SCHEMBL9770475 0.85 BACE1 (0.53) BACE1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9770581 0.85 ALDH1A1 (0.48) BACE1ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9770540 0.84 BACE1 (0.54) BACE1ALDH1A1GAAKMT2AMAPT
SCHEMBL9770505 0.82 BACE1 (0.44) BACE1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7270186 0.80 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL9770401 0.80 BACE1 (0.67) BACE1ALDH1A1MAPK1LMNAPTGS1
SCHEMBL9770149 0.80 BACE1 (0.67) BACE1ALDH1A1GAAMEN1KMT2A
SCHEMBL9770412 0.80 BACE1 (0.67) BACE1SMN1; SMN2KMT2AMAPTPOLB
SCHEMBL9770562 0.80 BACE1 (0.67) BACE1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US disclosed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP disclosed