SCHEMBL2570538

SCHEMBL2570538

CCCCn1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)nc1OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
EPHX2 P34913 6/20 0.44
NR3C1 P04150 1/20 0.44
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
FPR2 P25090 2/20 0.40
DDX3X O00571 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 2/20 0.39
MCHR1 Q99705 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2565379 0.89 EPHX2 (0.49) EPHX2RAB9ANPC1MAPTMCHR1
SCHEMBL1593911 0.85 MEN1 (0.48) MEN1KMT2AEPHX2NR3C1ADORA3
SCHEMBL2567422 0.84 MAPT (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4057959 0.84 EPHX2 (0.51) MEN1KMT2AEPHX2FPR2RAB9A
SCHEMBL2568383 0.81 ADORA3 (0.40) MEN1KMT2AEPHX2NR3C1ADORA3
SCHEMBL2565355 0.80 EPHX2 (0.48) KMT2AEPHX2ADORA3RAB9ANPC1
SCHEMBL2571142 0.79 EPHX2 (0.54) KMT2AEPHX2RAB9ANPC1MAPT
SCHEMBL2571501 0.77 EPHX2 (0.49) EPHX2RAB9ANPC1MCHR1
SCHEMBL1595469 0.77 EPHX2 (0.51) EPHX2RAB9ANPC1MAPTMCHR1
SCHEMBL13197973 0.75 ALDH1A1 (0.44) NR3C1ADORA3MCHR1SMN1; 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 6 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-1853582-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2007-11-14 EP disclosed
EP-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2006089664-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2006-08-31 WO disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO disclosed