SCHEMBL9864676

SCHEMBL9864676

Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
WDR5 P61964 2/20 0.52
ALDH1A1 P00352 3/20 0.52
ALKBH2 Q6NS38 1/20 0.52
ALKBH3 Q96Q83 1/20 0.52
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FABP4 P15090 2/20 0.50
JAK2 O60674 1/20 0.50
PTK2B Q14289 1/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAD52 P43351 1/20 0.49

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
SCHEMBL13811849 0.88 ALDH1A1 (0.67) MAPTWDR5ALDH1A1FABP4PTK2B
SCHEMBL3718775 0.86 TSHR (0.65) MAPTALDH1A1TP53TDP1FABP4
SCHEMBL633994 0.80 ALDH1A1 (0.68) MAPTALDH1A1TP53TDP1MEN1
SCHEMBL10487708 0.79 WDR5 (0.73) MAPTWDR5ALDH1A1TDP1MEN1
SCHEMBL15888492 0.78 ALDH1A1 (0.54) MAPTWDR5ALDH1A1TP53TDP1
SCHEMBL9996886 0.77 ALDH1A1 (0.74) ALDH1A1TDP1JAK2MEN1KMT2A
SCHEMBL2158289 0.77 TSHR (0.48) MAPTALDH1A1ALKBH2ALKBH3PTK2B
SCHEMBL28262526 0.77 CA12 (0.60) MAPTALDH1A1TP53TDP1MEN1
SCHEMBL17103003 0.76 IDH1 (0.70) MAPTTP53
SCHEMBL9818397 0.76 WDR5 (0.69) MAPTWDR5ALDH1A1TDP1MEN1

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-4999134-A For alkyd resin coating systems, aqueous and nonaqueous BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed