SCHEMBL9671045

SCHEMBL9671045

CC(C)(C#N)c1ccc2c(c1)Nc1ccc(Cl)cc1S2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 11/20 0.51
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ CYBB P04839 1/20 0.43
▸ NOX3 Q9HBY0 1/20 0.43
▸ NOX4 Q9NPH5 1/20 0.43
▸ SNCA P37840 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ GAA P10253 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9671163 0.83 NOX1 (0.61) NOX1BCHEACHECYBBNOX3
SCHEMBL28117917 0.78 NOX1 (0.76) NOX1BCHEACHECYBBNOX3
SCHEMBL9759078 0.76 NOX1 (0.55) NOX1BCHEACHECYBBNOX3
SCHEMBL30697368 0.74 NOX1 (0.62) NOX1BCHEACHESNCAMAPT
SCHEMBL7673182 0.74 NOX1 (0.62) NOX1BCHEACHESNCAMAPT
SCHEMBL28110666 0.74 NOX1 (0.58) NOX1BCHEACHECYBBNOX3
Hydrochloric Acid SCHEMBL30448208 0.73 NOX1 (0.60) NOX1BCHEACHESNCAMAPT
Hydrochloric Acid SCHEMBL20495637 0.73 NOX1 (0.60) NOX1BCHEACHESNCAMAPT
SCHEMBL19744471 0.72 NOX1 (0.57) NOX1BCHEACHECYBBNOX3
SCHEMBL1855994 0.71 NOX1 (0.65) NOX1BCHEACHECYBBNOX3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163551-B1 PHENOTHIAZINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-12 — — EP disclosed
US-4705854-A ANTIALLERGENS, ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1987-11-10 — — US disclosed
EP-0163551-A1 Phenothiazine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-12-04 — — EP disclosed
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