SCHEMBL9025944

SCHEMBL9025944

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
TP53 P04637 5/20 0.52
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
THRB P10828 3/20 0.48
KDM4E B2RXH2 6/20 0.45
LMNA P02545 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 7/20 0.43
GAA P10253 3/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8558011 0.97 TP53 (0.55) MAPTTP53KMT2ACYP2C9MEN1
SCHEMBL8556510 0.92 KDM4E (0.51) MAPTTP53KMT2AMEN1KDM4E
SCHEMBL9026868 0.84 MAPT (0.42) MAPTTP53KMT2ACYP2C9MEN1
SCHEMBL8555985 0.80 NR4A2 (0.54) MAPTKMT2ACYP2C9MEN1KDM4E
SCHEMBL8555034 0.80 ALDH1A1 (0.53) MAPTTP53KMT2ACYP2C9MEN1
SCHEMBL8556794 0.79 KMT2A (0.52) MAPTTP53KMT2ACYP2C9MEN1
SCHEMBL8560085 0.78 KDM4E (0.51) MAPTTP53KMT2ACYP2C9MEN1
SCHEMBL8555804 0.76 TP53 (0.46) MAPTTP53KMT2ACYP2C9MEN1
SCHEMBL8555950 0.76 TSHR (0.44) MAPTTP53KMT2ACYP2C9MEN1
SCHEMBL23833719 0.75 ALDH1A1 (0.51) MAPTTP53KMT2AMEN1SMN1; SMN2

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 2 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