SCHEMBL8556794

SCHEMBL8556794

CCOC(=O)c1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 5/20 0.50
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
THRB P10828 2/20 0.46
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.45
ADORA3 P0DMS8 2/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
BLM P54132 1/20 0.43
PLEC Q15149 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9026644 0.92 KMT2A (0.45) KMT2ATSHRCYP2C9MEN1MAPT
SCHEMBL8560588 0.88 KDM4E (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9025484 0.85 KDM4E (0.48) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL8554887 0.83 NR4A2 (0.54) KMT2ACYP2C9MEN1MAPTALDH1A1
SCHEMBL8558805 0.82 ALDH1A1 (0.53) KMT2ATSHRCYP2C9MEN1MAPT
SCHEMBL8558011 0.82 TP53 (0.55) KMT2ATSHRCYP2C9MEN1MAPT
SCHEMBL8556328 0.81 KDM4E (0.51) KMT2ATSHRCYP2C9MEN1MAPT
SCHEMBL9025944 0.79 MAPT (0.52) KMT2ATSHRCYP2C9MEN1MAPT
SCHEMBL8560610 0.79 ALDH1A1 (0.45) KMT2ATSHRCYP2C9MEN1MAPT
SCHEMBL5694177 0.78 EDNRB (0.51) KMT2ATSHRCYP2C9MEN1MAPT

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