SCHEMBL9770581

SCHEMBL9770581

O=[N+]([O-])c1ccc(OCC(O)CSc2cccc(O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
BACE1 P56817 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD4 P21917 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 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
SCHEMBL9770481 0.85 BACE1 (0.60) ALDH1A1GAABACE1MEN1KMT2A
SCHEMBL9770474 0.85 BACE1 (0.62) BACE1KMT2ASMN1; SMN2
SCHEMBL9770448 0.82 BACE1 (0.59) BACE1KMT2AMAPTLMNATSHR
SCHEMBL9770497 0.82 NPC1 (0.57) ALDH1A1BACE1MEN1KMT2AMAPK1
SCHEMBL9770507 0.82 BACE1 (0.52) BACE1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL9770331 0.82 BACE1 (0.52) ALDH1A1GAABACE1KMT2APKM
SCHEMBL9770535 0.81 BACE1 (0.57) ALDH1A1GAABACE1MEN1KMT2A
SCHEMBL9770472 0.80 MAPT (0.58) ALDH1A1BACE1MAPTPOLBLMNA
SCHEMBL9770475 0.79 BACE1 (0.53) ALDH1A1BACE1MEN1KMT2APKM
SCHEMBL9770370 0.79 BACE1 (0.53) ALDH1A1BACE1MEN1KMT2AMAPK1

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-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