SCHEMBL9402983

SCHEMBL9402983

Cc1cccc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
WDR5 P61964 1/20 0.58
PFKFB3 Q16875 1/20 0.57
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
POLB P06746 1/20 0.54
ALKBH2 Q6NS38 1/20 0.53
ALKBH3 Q96Q83 1/20 0.53
FTO Q9C0B1 1/20 0.53
AKR1C3 P42330 2/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL10487708 0.84 WDR5 (0.73) ALDH1A1MAPTMEN1KMT2AWDR5
SCHEMBL3553349 0.81 ALDH1A1 (0.68) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9818397 0.81 WDR5 (0.69) ALDH1A1MAPTMEN1KMT2AWDR5
SCHEMBL15045212 0.81 KMT2A (0.69) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL2665022 0.81 KMT2A (0.73) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL662338 0.79 KMT2A (0.65) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3561858 0.79 MEN1 (0.65) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL15045213 0.79 KMT2A (0.71) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14549199 0.79 KMT2A (0.61) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9864681 0.79 METAP2 (0.58) ALDH1A1MAPTHPGDMEN1KMT2A

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-5336681-A Elastase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed