SCHEMBL8546329

SCHEMBL8546329

O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.73
PGR P06401 1/20 0.49
FABP1 P07148 1/20 0.48
BRAF P15056 1/20 0.48
CYP17A1 P05093 1/20 0.45

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
SCHEMBL7325716 0.88 F2 (0.72) F2
SCHEMBL7329074 0.86 F2 (0.73) F2PGRFABP1
SCHEMBL7333772 0.84 F2 (0.74) F2FABP1
SCHEMBL8544836 0.84 F2 (1.00) F2PGR
SCHEMBL8543078 0.84 F2 (1.00) F2FABP1
SCHEMBL7329316 0.82 LMNA (0.59) F2PGRFABP1BRAF
Hydrochloric Acid SCHEMBL8542002 0.80 F2 (0.98) F2
SCHEMBL6727281 0.79 PGR (0.54) F2PGRFABP1BRAFCYP17A1
SCHEMBL7337386 0.79 F2 (1.00) F2
SCHEMBL8544231 0.79 F2 (1.00) F2

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed