SCHEMBL9053662

SCHEMBL9053662

CN1c2ccccc2Sc2ccccc21.O=C(O)CCN1c2ccccc2Oc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 8/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOA P21397 1/20 0.50
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
POLB P06746 1/20 0.46
NOX1 Q9Y5S8 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.44
KDM1A O60341 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8345041 0.89 MAPT (0.55) MEN1KMT2ALMNAMAPT
Phenoxathiine SCHEMBL27584749 0.88 MEN1 (0.80) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL179725 0.86 MAPT (0.60) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL31461256 0.86 MAPT (0.60) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL31014072 0.83 MEN1 (1.00) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL179882 0.83 MEN1 (1.00) MEN1KMT2ALMNAMAPTALDH1A1
Phenoxazine SCHEMBL5160856 0.82 MEN1 (0.70) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL27452810 0.82 MAPT (0.54) MEN1KMT2ALMNAMAPT
Phosphonic Acid SCHEMBL5566523 0.80 MAPT (0.55) MEN1KMT2ALMNAMAPTPOLB
Phosphonic Acid SCHEMBL5566590 0.77 MEN1 (0.88) MEN1KMT2ALMNAMAPTALDH1A1

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
WO-1996006930-A1 COPRINACEAE LACCASES NOVO NORDISK A/S (DK) 1996-03-07 WO claimed