SCHEMBL8802602

SCHEMBL8802602

Cc1nc2c(c(-c3cccc(Cl)c3Cl)c1OC(=O)OC(C)C)COC2=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.36

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
SCHEMBL7979243 0.86 CACNB4 (0.38) PTPN11
SCHEMBL7979537 0.79 POLB (0.44) PTPN11
SCHEMBL8801316 0.76 IMPDH2 (0.40)
SCHEMBL8802499 0.76 LMNA (0.44) PTPN11
SCHEMBL10913637 0.75 PTPN11 (0.39) PTPN11
SCHEMBL7967602 0.71 CACNB4 (0.39) PTPN11
SCHEMBL7984061 0.71 CACNB4 (0.42)
SCHEMBL8803416 0.70 SLC6A3 (0.38)
SCHEMBL9537421 0.68 TSHR (0.53)
SCHEMBL10921719 0.68 SMN1; SMN2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778769-A1 USE OF 5-SUBSTITUTED PYRIDINE AND HEXAHYDROQUINOLINE-3 CARBOXYLIC ACID DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BAYER AG (DE) 1997-06-18 EP claimed
WO-1996006610-A1 USE OF 5-SUBSTITUTED PYRIDINE AND HEXAHYDROQUINOLINE-3 CARBOXYLIC ACID DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1996-03-07 WO claimed