SCHEMBL4303749

SCHEMBL4303749

Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(C=S)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
DPP4 P27487 1/20 0.36
NFE2L2 Q16236 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
AHR P35869 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL195012 0.82
SCHEMBL6017000 0.82 RAB9A (0.47) CASP3SENP8SENP7NPC1RAB9A
SCHEMBL23733877 0.79 BCL2L1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17269527 0.79 BCL2L1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4308177 0.75 NPC1 (0.36) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL570158 0.73 L3MBTL1 (0.56) CASP3SENP8SENP7SENP6NPC1
SCHEMBL23733853 0.73 L3MBTL1 (0.56) CASP3SENP8SENP7SENP6NPC1
SCHEMBL18689509 0.73 L3MBTL1 (0.56) CASP3SENP8SENP7SENP6NPC1
SCHEMBL23733797 0.71 DPP4 (0.54) CASP3SENP8SENP7SENP6NPC1
SCHEMBL23733814 0.71 DPP4 (0.54) CASP3SENP8SENP7SENP6NPC1

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
WO-2009027541-A2 OXYGEN COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2009-03-05 WO claimed
WO-2009027541-A2 OXYGEN COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2009-03-05 WO disclosed