SCHEMBL7036339

SCHEMBL7036339

O=C(Nc1ccc(O)c2ncccc12)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
PDE4D Q08499 3/20 0.60
COMT P21964 1/20 0.55
BRD4 O60885 1/20 0.54
TLR7 Q9NYK1 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.50
PABPC1 P11940 1/20 0.50
KMT2A Q03164 1/20 0.50
EIF4H Q15056 1/20 0.50
UQCRB P14927 1/20 0.49
PARP1 P09874 1/20 0.49
TRPV1 Q8NER1 2/20 0.48
IDO1 P14902 2/20 0.48
PTGS1 P23219 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
SCHEMBL7040443 0.88 MEN1 (0.66) KDM4EPDE4DL3MBTL1NPC1RAB9A
SCHEMBL16525559 0.85 PDE4D (0.66) KDM4EPDE4DCOMTL3MBTL1NPC1
SCHEMBL13656151 0.81 PDE4D (0.59) KDM4EPDE4DCOMTL3MBTL1NPC1
SCHEMBL30132520 0.81 KMT2A (0.60) TLR7MEN1PABPC1KMT2AEIF4H
SCHEMBL20554412 0.81 KMT2A (0.60) TLR7MEN1PABPC1KMT2AEIF4H
SCHEMBL16525522 0.81 KDR (0.65) KDM4EPDE4DBRD4NPC1RAB9A
SCHEMBL6332102 0.80 PDE4D (0.58) KDM4EPDE4DCOMTL3MBTL1NPC1
SCHEMBL20554437 0.79 BRD4 (0.47) KDM4EBRD4TLR7L3MBTL1MEN1
SCHEMBL20554224 0.79 ELANE (0.53) TLR7L3MBTL1MEN1PABPC1KMT2A
SCHEMBL30132571 0.79 ELANE (0.53) TLR7L3MBTL1MEN1PABPC1KMT2A

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