SCHEMBL10823562

SCHEMBL10823562

O=C(Nc1cccc(S(=O)(=O)Nc2ccc(O)c3c(S(=O)(=O)O)cccc23)c1)Nc1cccc(S(=O)(=O)Nc2ccc(O)c3c(S(=O)(=O)O)cccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TIMP3 P35625 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA12 O43570 5/20 0.45
▸ CA1 P00915 5/20 0.45
▸ CA2 P00918 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ IDH1 O75874 2/20 0.43

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
SCHEMBL10823442 0.95 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823701 0.92 MEN1 (0.48) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823770 0.88 HKDC1 (0.50) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL10823512 0.88 MEN1 (0.51) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823552 0.88 MEN1 (0.51) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823434 0.88 MEN1 (0.50) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823487 0.84 EP300 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL10823482 0.84 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823717 0.84 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823723 0.82 PRMT1 (0.52) MEN1KMT2AMAPTLMNAMAPK1

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
Send feedback