SCHEMBL8148481

SCHEMBL8148481

CN(C)c1ccc(-c2nc(C(F)(F)F)oc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.45
NR4A2 P43354 9/20 0.43
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
ADK P55263 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
PSMB5 P28074 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL8146420 0.87 NR4A2 (0.55) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL8140604 0.84 RXRA (0.51) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL8151850 0.84 RXRA (0.51) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL8152990 0.82 CA2 (0.54) PTGS2KMT2AMEN1POLB
SCHEMBL8148454 0.81 RXRA (0.51) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL8172158 0.80 NOX1 (0.52) NOX1NR4A2MAPK14MAPK13MAPK12
SCHEMBL19700319 0.80 NOX1 (0.52) NOX1NR4A2MAPK14MAPK13MAPK12
SCHEMBL4651367 0.80 NOX1 (0.52) NOX1NR4A2MAPK14MAPK13MAPK12
SCHEMBL6964144 0.80 NOX1 (0.52) NOX1NR4A2MAPK14MAPK13MAPK12
SCHEMBL7502654 0.78 PTGS2 (0.67) PTGS2

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
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed