SCHEMBL4796211

SCHEMBL4796211

CN(C)C(=O)CCN(CCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX5 P09917 6/20 0.51
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.45
RCE1 Q9Y256 1/20 0.45

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
SCHEMBL5933377 0.84 TDP1 (0.66) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL8493143 0.81 ALOX5 (0.69) KMT2ANPC1RAB9ATDP1ALOX5
SCHEMBL3366949 0.81 KMT2A (0.70) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL391716 0.80 KMT2A (0.57) KMT2ANPC1RAB9AMEN1TDP1
Hydrochloric Acid SCHEMBL27410606 0.80 ALOX5 (0.67) KMT2ANPC1RAB9ATDP1ALOX5
SCHEMBL386559 0.80 ALOX5 (0.77) KMT2AALOX5
Water SCHEMBL3678915 0.79 KMT2A (0.68) KMT2ANPC1RAB9AMEN1TDP1
Hydrochloric Acid SCHEMBL3136984 0.79 KMT2A (0.68) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL16658765 0.78 ALOX5 (0.75) KMT2AALOX5
SCHEMBL1570127 0.78 TAAR1 (0.57) KMT2ANPC1RAB9AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP disclosed