SCHEMBL8561382

SCHEMBL8561382

O=S(=O)(Nc1oc(C(F)F)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
EDNRB P24530 6/20 0.42
EDNRA P25101 6/20 0.42
PTPN2 P17706 4/20 0.41
PTPN1 P18031 4/20 0.41
PTPN5 P54829 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.40
IL1RN P18510 1/20 0.39
KEAP1 Q14145 1/20 0.39
ERAP1 Q9NZ08 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
SCHEMBL9026630 0.91 HDAC6 (0.42) HSD11B1EDNRBEDNRAPTPN2PTPN1
SCHEMBL8558820 0.81 MAPT (0.47) HSD11B1EDNRBEDNRAPTPN2PTPN1
SCHEMBL5694177 0.79 EDNRB (0.51) HSD11B1EDNRBEDNRAPTPN2PTPN1
SCHEMBL8561934 0.78 HDAC6 (0.48) HSD11B1EDNRBEDNRAPTPN2PTPN1
SCHEMBL8556824 0.78 HSD11B1 (0.44) HSD11B1PTPN2PTPN1PTPN5MAPT
SCHEMBL8554887 0.77 NR4A2 (0.54) HSD11B1EDNRBEDNRAPTPN2PTPN1
SCHEMBL8560089 0.76 MAPT (0.58) PTPN2PTPN1PTPN5MAPTMEN1
SCHEMBL8555072 0.76 SLC40A1 (0.45) HSD11B1EDNRBEDNRAPTPN2PTPN1
SCHEMBL8558261 0.76 HSD11B1 (0.44) HSD11B1EDNRBEDNRAPTPN2PTPN1
SCHEMBL8560329 0.75 PTGS2 (0.52) HSD11B1EDNRBEDNRAPTPN2PTPN1

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