SCHEMBL9955776

SCHEMBL9955776

N=C(N)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
TRPV1 Q8NER1 3/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
FAAH O00519 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
PLA2G1B P04054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL9689823 0.87 EPHX2 (0.56) EPHX2MAPTKDM4ETRPV1KMT2A
SCHEMBL27663883 0.87 L3MBTL1 (0.50) EPHX2MAPTKDM4EL3MBTL1KMT2A
SCHEMBL4104600 0.86 MAPT (0.56) EPHX2MAPTKDM4EL3MBTL1TRPV1
Hydrochloric Acid SCHEMBL4482069 0.85 MAPT (0.54) EPHX2MAPTKDM4EL3MBTL1TRPV1
SCHEMBL11271295 0.84 EPHX2 (0.71) EPHX2MAPTKDM4ETRPV1KMT2A
SCHEMBL11137428 0.84 MAPT (0.71) EPHX2MAPTKDM4EL3MBTL1TRPV1
SCHEMBL30096708 0.83 EPHX2 (0.65) EPHX2MAPTKDM4EL3MBTL1TRPV1
SCHEMBL23084203 0.81 EPHX2 (0.62) EPHX2MAPTKDM4EL3MBTL1TRPV1
SCHEMBL5035158 0.81 MAPT (0.73) EPHX2MAPTKDM4EL3MBTL1TRPV1
SCHEMBL169453 0.81 EPHX2 (0.73) EPHX2MAPTKDM4EL3MBTL1TRPV1

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
WO-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 US disclosed