SCHEMBL10823744

SCHEMBL10823744

Cc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3cc(O)ccc23)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3cc(O)ccc23)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.44
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ CASP6 P55212 1/20 0.40
▸ CYTH2 Q99418 2/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ GFER P55789 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL10823506 0.92 PRMT1 (0.45) PRMT1MEN1KMT2ACASP6CYTH2
SCHEMBL10823472 0.91 PTGES (0.46) PRMT1MEN1KMT2ACASP6CYTH2
SCHEMBL10823611 0.84 PRMT1 (0.57) PRMT1MEN1KMT2ACASP6GFER
SCHEMBL11354660 0.83 MEN1 (0.46) PRMT1MEN1KMT2ACASP6LMNA
SCHEMBL10823757 0.83 PRMT1 (0.62) PRMT1MEN1KMT2ACASP6CA12
SCHEMBL10823437 0.82 CASP6 (0.44) PRMT1MEN1KMT2ACASP6GFER
SCHEMBL10823539 0.81 PRMT1 (0.57) PRMT1MEN1KMT2ACASP6CA12
SCHEMBL10823352 0.81 PTGES (0.41) MEN1KMT2ACYTH2CA12CA1
SCHEMBL10823390 0.81 HKDC1 (0.46) PRMT1MEN1KMT2ACASP6CA12
SCHEMBL10823769 0.81 PRMT1 (0.54) PRMT1MEN1KMT2ACASP6CA12

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-H83-H Dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-01 — — US disclosed
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