SCHEMBL8795451

SCHEMBL8795451

Cc1ccncc1C1=CC(C)(C)Oc2ccc(S(=O)(=O)C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.38
CYP17A1 P05093 3/20 0.36
ESPL1 Q14674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
PDE10A Q9Y233 2/20 0.32
PTGS1 P23219 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL8794831 0.84 ESPL1 (0.37) PTGS2ESPL1ALDH1A1LMNAHTT
SCHEMBL8793951 0.83 PTGS2 (0.39) PTGS2ESPL1ALDH1A1PTGS1
SCHEMBL8795212 0.82 PTGS2 (0.37) PTGS2ESPL1ALDH1A1LMNAHTT
SCHEMBL8794918 0.81 ESPL1 (0.36) ESPL1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8794882 0.81 CYP17A1 (0.39) CYP17A1ESPL1ALDH1A1LMNAHTT
SCHEMBL8794513 0.79 PTGS2 (0.40) PTGS2ESPL1ALDH1A1LMNAHTT
SCHEMBL9381223 0.78 RARA (0.37) ESPL1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9376910 0.78 ESPL1 (0.37) PTGS2ESPL1ALDH1A1LMNAHTT
SCHEMBL8795248 0.77 PTGS2 (0.35) PTGS2ESPL1ALDH1A1LMNAHTT
SCHEMBL9380086 0.75 P2RX1 (0.40) PTGS2ESPL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed