SCHEMBL10823508

SCHEMBL10823508

O=C(Nc1cccc(S(=O)(=O)Nc2c(S(=O)(=O)O)ccc3cccc(O)c23)c1)Nc1cccc(S(=O)(=O)Nc2c(S(=O)(=O)O)ccc3cccc(O)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ IDH1 O75874 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CA12 O43570 5/20 0.44
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA9 Q16790 5/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PKM P14618 2/20 0.42

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
SCHEMBL10823384 0.89 LMNA (0.46) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL10823689 0.87 MEN1 (0.46) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823430 0.85 IDH1 (0.55) IDH1
SCHEMBL10823499 0.84 KMT2A (0.42) MEN1KMT2AMAPTIDH1CA12
SCHEMBL10823567 0.83 IDH1 (0.48) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823419 0.82 MAPT (0.51) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823482 0.81 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823442 0.81 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823434 0.80 MEN1 (0.50) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL10823523 0.79 MAPT (0.49) 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
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