SCHEMBL4722684

SCHEMBL4722684

CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C(C)=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
POLB P06746 1/20 0.40
DNMT1 P26358 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4722125 0.93 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4724313 0.89 CYP1A2 (0.42) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL4721837 0.89 CYP1A2 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4722204 0.89 CYP1A2 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4723078 0.88 CYP1A2 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4723982 0.88 GAA (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4721819 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4723312 0.87 CYP1A2 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4724172 0.87 CYP1A2 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4720635 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4ENPC1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed