SCHEMBL10823386

SCHEMBL10823386

O=C(Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)c3ccc(O)cc23)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)c3ccc(O)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 4/20 0.47
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PSD A5PKW4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10823696 0.95 TIMP3 (0.47) TIMP3MEN1KMT2AMAPTLMNA
SCHEMBL10823404 0.87 MEN1 (0.48) TIMP3MEN1KMT2AMAPTLMNA
SCHEMBL10823707 0.85 MEN1 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL10823589 0.84 IDH1 (0.53) —
SCHEMBL10823421 0.83 MEN1 (0.48) TIMP3MEN1KMT2AMAPTLMNA
SCHEMBL11347634 0.82 TIMP3 (0.61) TIMP3MEN1KMT2AMAPTPRMT1
SCHEMBL10823431 0.81 CHEK1 (0.45) TIMP3MEN1KMT2AMAPTLMNA
SCHEMBL10823352 0.81 PTGES (0.41) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL10823667 0.80 MEN1 (0.44) TIMP3MEN1KMT2AMAPTLMNA
SCHEMBL10823581 0.80 IDH1 (0.53) MEN1KMT2AGAA

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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