SCHEMBL11817545

SCHEMBL11817545

O=C(O)c1cccc2c1Nc1ccc(Br)cc1S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.45
▸ ALOX5 P09917 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ LIG1 P18858 1/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ NOX1 Q9Y5S8 2/20 0.35
▸ GSTA1 P08263 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CYBB P04839 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
SCHEMBL293434 0.82 ALOX5 (0.54) SNCAALOX5KDM4ELIG1BCHE
Benzene SCHEMBL28125613 0.82 ALOX5 (0.54) SNCAALOX5KDM4ELIG1BCHE
SCHEMBL11823962 0.81 NOX1 (0.49) ALOX5KDM4ENOX1MEN1KMT2A
SCHEMBL11811978 0.80 NOX1 (0.58) SNCAKDM4EAKR1C3BCHENOX1
SCHEMBL11822439 0.79 SNCA (0.61) SNCAAKR1C3NOX1GAAMAPT
SCHEMBL11817565 0.77 MEN1 (0.45) SNCAKDM4ENOX1MEN1KMT2A
SCHEMBL17996072 0.77 SNCA (0.46) SNCAKDM4EBCHESLC6A3NOX1
SCHEMBL20424966 0.77 SNCA (0.46) SNCABCHESLC6A3NOX1MEN1
SCHEMBL11818316 0.75 NOX1 (0.55) SNCAALOX5LIG1BCHENOX1
SCHEMBL11808295 0.75 NOX1 (0.44) SNCAALOX5KDM4ELIG1BCHE

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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