SCHEMBL10823664

SCHEMBL10823664

O=C(Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c3cc(O)ccc3c2)cc1)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c3cc(O)ccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ HSD17B1 P14061 2/20 0.45
▸ HSD17B2 P37059 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 1/20 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
SCHEMBL10823374 0.87 IDH1 (0.48) PTGESLMNAHSD17B1HSD17B2MEN1
SCHEMBL10823714 0.86 LMNA (0.45) DYRK1ALMNAPOLBGAAGFER
SCHEMBL10823363 0.85 IDH1 (0.58) —
SCHEMBL10823553 0.84 PTGES (0.50) PTGESGAAMEN1ALDH1A1KMT2A
SCHEMBL11343949 0.81 ENPP2 (0.56) DYRK1APRMT1
SCHEMBL10823632 0.81 PRMT1 (0.60) LMNAPRMT1
SCHEMBL10823696 0.80 TIMP3 (0.47) DYRK1ALMNAPOLBGAAGFER
SCHEMBL10823568 0.80 LMNA (0.44) DYRK1ALMNAPOLBGAAGFER
SCHEMBL10823386 0.80 TIMP3 (0.47) DYRK1ALMNAPOLBGAAGFER
SCHEMBL10823450 0.79 CA2 (0.49) LMNASMN1; SMN2PRMT1MEN1ALDH1A1

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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