SCHEMBL8553642

SCHEMBL8553642

O=S(=O)(Nc1oc(COc2ccccc2)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HSD11B1 P28845 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL9025133 0.93 AR (0.46) ARNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8560966 0.92 AR (0.48) ARPOLBMEN1MAPTKMT2A
SCHEMBL8557266 0.92 AR (0.51) ARPOLBMAPK1TDP1HPGD
SCHEMBL8557997 0.92 AR (0.51) ARNPC1RAB9APOLBHPGD
SCHEMBL8556035 0.90 MEN1 (0.45) ARPOLBTDP1HPGDGAA
SCHEMBL8556744 0.89 GRM5 (0.44) ARPGRPTPN2PTPN1PTPN5
SCHEMBL8559014 0.89 MAPT (0.48) RAB9APOLBMAPK1TDP1GAA
SCHEMBL8553921 0.88 MEN1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9025890 0.86 AR (0.45) ARMEN1KMT2APTGER4BCL2L1
SCHEMBL8555993 0.85 HPGD (0.46) SMN1; SMN2ALDH1A1MAPK1TDP1L3MBTL1

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-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed