SCHEMBL743632

SCHEMBL743632

COC1CC(N)C(N)(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.48
EHMT2 Q96KQ7 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMYD3 Q9H7B4 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PDGFRB P09619 1/20 0.43
HRH4 Q9H3N8 6/20 0.43
HRH3 Q9Y5N1 5/20 0.43
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.41
PYGL P06737 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
SCHEMBL743134 0.84 FLT3 (0.47) FLT3EHMT2KMT2AMEN1NPC1
SCHEMBL741940 0.80 SMYD3 (0.43) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL740219 0.79 FLT3 (0.48) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL740522 0.77 SMYD3 (0.48) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL27520223 0.76 SMYD3 (0.45) FLT3SMYD3F7F3HRH4
SCHEMBL743889 0.76 HRH4 (0.46) FLT3SMYD3F7F3HRH4
SCHEMBL742366 0.75 F7 (0.49) FLT3KMT2AMEN1NPC1RAB9A
SCHEMBL739788 0.75 SMYD3 (0.51) FLT3KMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL741656 0.75 SMYD3 (0.44) FLT3SMYD3F7F3HRH4
SCHEMBL27547475 0.75 KMT2A (0.58) FLT3KMT2AMEN1NPC1RAB9A

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-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
CN-1293057-C Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-03 CN disclosed
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 CN disclosed