SCHEMBL741540

SCHEMBL741540

CCOC(=O)C1(NC2CCC(N)(C(=O)c3cc4cc(Cl)ccc4[nH]3)C(N)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
PYGL P06737 15/20 0.44
SMYD3 Q9H7B4 2/20 0.43
EHMT2 Q96KQ7 1/20 0.39

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
SCHEMBL27547475 0.83 KMT2A (0.58) KMT2AMEN1RAB9AATMPYGL
Hydrochloric Acid SCHEMBL742545 0.82 KMT2A (0.57) KMT2AMEN1RAB9AATMPYGL
SCHEMBL4094495 0.81 SMYD3 (0.53) KMT2AMEN1RAB9AATMPYGL
SCHEMBL4089709 0.81 SMYD3 (0.53) KMT2AMEN1RAB9AATMPYGL
SCHEMBL27520223 0.77 SMYD3 (0.45) PYGLSMYD3
Hydrochloric Acid SCHEMBL741656 0.76 SMYD3 (0.44) PYGLSMYD3
SCHEMBL743889 0.75 HRH4 (0.46) PYGLSMYD3
SCHEMBL739788 0.75 SMYD3 (0.51) KMT2AMEN1RAB9APYGLSMYD3
Hydrochloric Acid SCHEMBL741745 0.74 SMYD3 (0.50) KMT2AMEN1RAB9APYGLSMYD3
SCHEMBL743134 0.74 FLT3 (0.47) KMT2AMEN1RAB9AATMPYGL

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