SCHEMBL7040443

SCHEMBL7040443

CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c3ncccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
PABPC1 P11940 1/20 0.66
EIF4H Q15056 1/20 0.66
UQCRB P14927 1/20 0.64
PDE4D Q08499 3/20 0.64
KDM4E B2RXH2 3/20 0.58
IDO1 P14902 2/20 0.51
TRPV1 Q8NER1 5/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
DHPS P49366 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL7036339 0.88 KDM4E (0.61) MEN1KMT2APABPC1EIF4HUQCRB
SCHEMBL16525559 0.87 PDE4D (0.66) MEN1KMT2APABPC1EIF4HPDE4D
SCHEMBL6332102 0.85 PDE4D (0.58) MEN1KMT2APABPC1EIF4HUQCRB
SCHEMBL3900251 0.84 PDE4D (0.60) MEN1KMT2APABPC1EIF4HUQCRB
SCHEMBL13656151 0.81 PDE4D (0.59) MEN1KMT2APABPC1EIF4HPDE4D
SCHEMBL16525522 0.81 KDR (0.65) MEN1KMT2APABPC1EIF4HPDE4D
SCHEMBL13762083 0.80 MEN1 (1.00) MEN1KMT2APABPC1EIF4HKDM4E
SCHEMBL6337437 0.79 PDE4D (0.54) MEN1KMT2APABPC1EIF4HUQCRB
SCHEMBL7032474 0.78 IDO1 (0.61) MEN1KMT2APDE4DKDM4EIDO1
SCHEMBL16187968 0.78 UQCRB (1.00) MEN1KMT2AUQCRBKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003055477-A1 METHOD FOR THE TREATMENT OF MC RECEPTOR RELATED DISORDERS WITH A CHELATE AND/OR A CHELATOR 7TM PHARMA A/S (DK) 2003-07-10 WO disclosed
WO-2003003009-A1 USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed
WO-2003003008-A1 CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed