SCHEMBL21090807

SCHEMBL21090807

CN1C(N)=Nc2ccc(Br)cc2S1(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CA2 P00918 3/20 0.31
CA1 P00915 2/20 0.31
PTK2 Q05397 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PDGFRA P16234 1/20 0.31
CDK5 Q00535 1/20 0.31
TYRO3 Q06418 1/20 0.31
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL21089764 0.88 PTK2 (0.33) CA2CA1PTK2HRH4PDGFRA
SCHEMBL21054186 0.70 CA2 (0.31) CA2CA9
SCHEMBL17097221 0.67 CA9 (0.58) CA2CA1CA9CA12CA4
SCHEMBL16278118 0.65 CA2 (0.53) CA2CA1CA9CA12CA4
SCHEMBL16277462 0.65 TP53 (0.38) CA2CA1PTK2CA9CA12
SCHEMBL16283536 0.64 PTK2 (0.34) CA2CA1PTK2CA9CA12
SCHEMBL22226932 0.64 CA9 (0.58) CA2CA9CA12
SCHEMBL11693134 0.63 HTT (0.39) CA2CA1HRH4CA9CA12
SCHEMBL11693059 0.61 CA2 (0.45) CA2CA1PTK2CDK5TYRO3
SCHEMBL18659731 0.61 NR1I2 (0.39) CA2CA1CA9

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
WO-2019112719-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2019-06-13 WO disclosed