SCHEMBL10823564

SCHEMBL10823564

O=C(Nc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c(O)c3ccccc23)c1)Nc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c(O)c3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ IDH1 O75874 2/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ MCL1 Q07820 3/20 0.46
▸ BCL2 P10415 2/20 0.46
▸ BCL2L1 Q07817 2/20 0.46
▸ BCL2A1 Q16548 2/20 0.46
▸ BCL2L2 Q92843 2/20 0.46
▸ HKDC1 Q2TB90 2/20 0.46

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
SCHEMBL10823540 0.91 MEN1 (0.53) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL10823670 0.90 KMT2A (0.52) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL10823344 0.88 EP300 (0.50) MEN1KMT2ALMNAHTTMCL1
SCHEMBL10823717 0.85 MEN1 (0.49) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL10823548 0.83 MEN1 (0.49) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL10823495 0.82 IDH1 (0.56) MEN1KMT2AIDH1
SCHEMBL10823573 0.82 MCL1 (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10823442 0.81 MEN1 (0.49) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL10823435 0.81 KMT2A (0.52) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL10823562 0.81 MEN1 (0.49) MAPTMEN1KMT2ALMNAMAPK1

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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