SCHEMBL2565355

SCHEMBL2565355

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(OC(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.48
PPARA Q07869 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
XBP1 P17861 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IGF1R P08069 2/20 0.43
NAMPT P43490 1/20 0.43
FAAH O00519 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 1/20 0.41
P2RY1 P47900 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
SCHEMBL2567980 0.91 EPHX2 (0.50) EPHX2PPARAIGF1RFAAHCACNA1G
SCHEMBL2571169 0.88 EPHX2 (0.52) EPHX2PPARATRPV1MAPTPKM
SCHEMBL1595202 0.88 EPHX2 (0.51) EPHX2PPARATRPV1MAPTPKM
SCHEMBL2571142 0.85 EPHX2 (0.54) EPHX2MAPTKMT2AIGF1RFAAH
SCHEMBL2879513 0.83 EPHX2 (0.54) EPHX2PPARATRPV1MAPTPKM
SCHEMBL2571812 0.82 EPHX2 (0.48) EPHX2PPARAMAPTKMT2AIGF1R
SCHEMBL2567968 0.82 EPHX2 (0.44) EPHX2PPARATRPV1MAPTPKM
SCHEMBL2561907 0.81 MCHR1 (0.46) EPHX2PPARATRPV1MAPTPKM
SCHEMBL2565710 0.81 MCHR1 (0.46) EPHX2PPARATRPV1MAPTPKM
SCHEMBL2571501 0.81 EPHX2 (0.49) EPHX2IGF1RFAAHNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO disclosed