SCHEMBL10823568

SCHEMBL10823568

O=C(Nc1ccc(S(=O)(=O)Nc2cc3cc(O)ccc3cc2S(=O)(=O)O)cc1)Nc1ccc(S(=O)(=O)Nc2cc3cc(O)ccc3cc2S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TIMP3 P35625 2/20 0.42
▸ CA2 P00918 1/20 0.41
▸ FASN P49327 1/20 0.41
▸ GPR27 Q9NS67 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40

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
SCHEMBL10823575 0.87 MEN1 (0.48) LMNASMN1; SMN2CA2
SCHEMBL10823443 0.84 MEN1 (0.44) LMNAGAAPOLBGFERTIMP3
SCHEMBL10823660 0.84 IDH1 (0.53) —
SCHEMBL11341737 0.82 TIMP3 (0.50) DYRK1APOLBTIMP3ENPP2
SCHEMBL10823413 0.81 PRMT1 (0.53) LMNATIMP3CA2
SCHEMBL10823450 0.81 CA2 (0.49) LMNASMN1; SMN2CA2GPR27
SCHEMBL10823664 0.80 PTGES (0.47) LMNADYRK1AGAAPOLBGFER
SCHEMBL10823611 0.79 PRMT1 (0.57) LMNADYRK1AGAAPOLBGFER
SCHEMBL10823386 0.79 TIMP3 (0.47) LMNADYRK1AGAAPOLBGFER
SCHEMBL10823696 0.79 TIMP3 (0.47) LMNADYRK1AGAAPOLBGFER

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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