SCHEMBL11812879

SCHEMBL11812879

CCCc1ccc2c(c1)Nc1c(cccc1C(=O)O)S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 8/20 0.41
▸ GAA P10253 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CYBB P04839 1/20 0.41
▸ APP P05067 1/20 0.41
▸ SNCA P37840 1/20 0.41
▸ NOX3 Q9HBY0 1/20 0.41
▸ NOX4 Q9NPH5 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ MCL1 Q07820 3/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ SORT1 Q99523 1/20 0.38

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
SCHEMBL11808295 0.78 NOX1 (0.44) NOX1GAAMAPTMEN1KMT2A
SCHEMBL11818316 0.78 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL7600333 0.77 NOX1 (0.57) NOX1GAAMAPTMEN1KMT2A
Benzene SCHEMBL28125613 0.77 ALOX5 (0.54) NOX1GAAMAPTMEN1KMT2A
SCHEMBL293434 0.77 ALOX5 (0.54) NOX1GAAMAPTMEN1KMT2A
Flutiazin SCHEMBL29394002 0.75 NOX1 (0.58) NOX1GAAMAPTMEN1KMT2A
Flutiazin SCHEMBL193601 0.75 NOX1 (0.58) NOX1GAAMAPTMEN1KMT2A
Flutiazin SCHEMBL11811863 0.74 NOX1 (0.57) NOX1GAAMAPTMEN1KMT2A
SCHEMBL11817565 0.72 MEN1 (0.45) NOX1GAAMAPTMEN1KMT2A
SCHEMBL11818936 0.71 ALDH1A1 (0.49) GAAMAPTMEN1KMT2AALOX15

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-3962438-A Anti-arthritic 1H-pyrimido-(5,4,3-kl)phenothiazine-1,3(2H)-diones and 1-thiones SMITHKLINE CORPORATION (US) 1976-06-08 — — US disclosed
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