SCHEMBL10823714

SCHEMBL10823714

O=C(Nc1ccc(S(=O)(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)cc1)Nc1ccc(S(=O)(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ DYRK1A Q13627 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
SCHEMBL10823355 0.88 IDH1 (0.48) LMNAKMT2AMEN1ALOX12PRMT1
SCHEMBL10823664 0.86 PTGES (0.47) LMNAKMT2AMEN1ALDH1A1ALOX12
SCHEMBL10823647 0.85 IDH1 (0.44) KMT2AMEN1GAASMN1; SMN2PKM
SCHEMBL10823509 0.83 IDH1 (0.58) —
SCHEMBL10823488 0.82 PRMT1 (0.64) PRMT1
SCHEMBL10823428 0.81 TNNI3 (0.49) LMNAKMT2AMEN1ALDH1A1ALOX12
SCHEMBL11343839 0.81 ENPP2 (0.60) PRMT1
SCHEMBL10823450 0.80 CA2 (0.49) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10823707 0.80 MEN1 (0.49) LMNAKMT2AMEN1ALDH1A1POLB
SCHEMBL10823759 0.79 MEN1 (0.46) LMNAKMT2AMEN1ALDH1A1POLB

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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