SCHEMBL11293646

SCHEMBL11293646

O=[N+]([O-])c1ccc2c(c1)c1ccccc1[s+]2[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
S100A4 P26447 2/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
PARP1 P09874 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.44
OPRK1 P41145 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTPRC P08575 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL3088067 0.90 MAPT (0.50) MAPTS100A4CTSVCTSLPARP1
SCHEMBL204674 0.80 TSHR (0.46) MAPTS100A4PARP1KMT2AMEN1
SCHEMBL10311826 0.76 MAPT (0.48) MAPTS100A4CTSVCTSLPARP1
SCHEMBL311661 0.75 S100A4 (0.68) MAPTS100A4CTSVCTSLPARP1
Trifluoromethanesulfonic Acid SCHEMBL9419957 0.74 CASP6 (0.40) MAPTS100A4CTSVCTSLPARP1
SCHEMBL10311827 0.74 TSHR (0.48) MAPTS100A4PARP1KMT2AMEN1
SCHEMBL30286606 0.74 CYP2A6 (0.33) TSHRTDP1ALDH1A1
SCHEMBL205562 0.74 CYP2A6 (0.33) TSHRTDP1ALDH1A1
SCHEMBL13326089 0.73 CTSV (0.51) MAPTS100A4CTSVCTSLPARP1
SCHEMBL10432083 0.72 KIF11 (0.43) MAPTS100A4CTSVCTSLPARP1

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-4327168-A Electrophotographic element containing disazo pigment charge generating material RICOH CO., LTD. (JP) 1982-04-27 US disclosed