SCHEMBL8712671

SCHEMBL8712671

BrCc1ccc2c(c1)=NS(Cc1ccc3nsnc3c1)(c1ccc3nsnc3c1)N=2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 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
SCHEMBL245270 0.76 PTPN11 (0.48) PTPN11
SCHEMBL7548986 0.70 NPC1 (0.40) PTPN11
SCHEMBL5262949 0.59 PTPN11 (0.48) PTPN11
SCHEMBL4682270 0.59 PTPN11 (0.48) PTPN11
SCHEMBL257319 0.59 PTPN11 (0.48) PTPN11
SCHEMBL3275924 0.59 PTPN11 (0.54) PTPN11
Hydrochloric Acid SCHEMBL5957709 0.58 PTPN11 (0.52) PTPN11
SCHEMBL5654842 0.58 ALDH1A1 (0.47) PTPN11
SCHEMBL14944883 0.57 PTPN11 (0.55) PTPN11
SCHEMBL8229673 0.57 PTPN11 (0.45) PTPN11

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-1998041515-A1 ENDOTHOLIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 WO disclosed