SCHEMBL8557604

SCHEMBL8557604

O=S(=O)(Nc1nc(COc2ccc(Cl)cc2)oc1-c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PGR P06401 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM1A O60341 2/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 2/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
FBP1 P09467 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL8561913 0.92 AR (0.46) ARMEN1KMT2ARXFP1TSHR
SCHEMBL8555123 0.89 AR (0.51) ARMEN1KMT2ARXFP1TSHR
SCHEMBL8555920 0.89 PGR (0.46) KMT2APGRKDM1ATSHRMAPK1
SCHEMBL8554235 0.87 MEN1 (0.45) ARMEN1KMT2ATSHRTDP1
SCHEMBL9025550 0.86 AR (0.46) ARPGRTSHRMAPK1TDP1
SCHEMBL8556135 0.85 MAPT (0.48) MEN1KMT2ARXFP1TSHRMAPK1
SCHEMBL9026048 0.83 MEN1 (0.50) ARMEN1KMT2APTPN1BCL2L1
SCHEMBL8557266 0.83 AR (0.51) ARMEN1KMT2APGRKDM1A
SCHEMBL8559033 0.82 GRM5 (0.44) ARPGRPTPN2PTPN1PTPN5
SCHEMBL8560337 0.81 MAPT (0.50) MEN1KMT2APGRRXFP1KDM1A

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