SCHEMBL8557997

SCHEMBL8557997

O=S(=O)(Nc1oc(COc2ccc(F)cc2)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPT P10636 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.39

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
SCHEMBL8560966 0.96 AR (0.48) ARFFAR1FFAR4MAPTPTPN2
SCHEMBL9025890 0.93 AR (0.45) ARPTPN1BCL2L1MCL1MEN1
SCHEMBL8553642 0.92 AR (0.46) ARNPC1RAB9AMAPTPTPN2
SCHEMBL9026918 0.90 AR (0.45) ARFFAR1FFAR4MAPTPTPN2
SCHEMBL8557266 0.89 AR (0.51) ARMAPTPTPN2PTPN1PTPN5
SCHEMBL8556744 0.89 GRM5 (0.44) ARPTPN2PTPN1PTPN5
SCHEMBL8556035 0.87 MEN1 (0.45) ARBCL2L1MCL1GAAHPGD
SCHEMBL8555993 0.87 HPGD (0.46) MAPTPTPN2PTPN1PTPN5GAA
SCHEMBL8560603 0.86 GRM5 (0.44) ARMAPTPTPN2PTPN1PTPN5
SCHEMBL8558776 0.86 MAPT (0.44) ARRAB9AMAPTPTGDR2GAA

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed