SCHEMBL9401917

SCHEMBL9401917

COc1ccc(N)c(S(=O)(=O)O)c1.Cc1ccc(N)c(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 2/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.41
THRB P10828 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL158764 0.92 CTDSP1 (0.52) CTDSP1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL31532623 0.92 CTDSP1 (0.52) CTDSP1ALDH1A1SMN1; SMN2CYP3A4MAPT
Nitrogen SCHEMBL28911658 0.89 CTDSP1 (0.50) CTDSP1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL153905 0.87 TDP1 (0.48) CTDSP1ALDH1A1SMN1; SMN2HPGDCYP3A4
SCHEMBL29659353 0.87 TDP1 (0.48) CTDSP1ALDH1A1SMN1; SMN2HPGDCYP3A4
Methylamine SCHEMBL7900082 0.85 TDP1 (0.46) CTDSP1ALDH1A1SMN1; SMN2HPGDCYP3A4
SCHEMBL3844195 0.85 TDP1 (0.46) CTDSP1ALDH1A1SMN1; SMN2HPGDCYP3A4
SCHEMBL9637459 0.84 CTDSP1 (0.47) CTDSP1ALDH1A1SMN1; SMN2CYP3A4MAPT
Nitrogen SCHEMBL28473363 0.83 TDP1 (0.45) CTDSP1ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL9851405 0.81 ALDH1A1 (0.47) CTDSP1ALDH1A1SMN1; SMN2CYP3A4MAPT

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-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5241055-A Use in cold pad-batch processing; fixing; fiber bonding; color- and washfastness; monoazo-, disazo-formazan, triphenyldioxazine and metal phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed