SCHEMBL27664841

SCHEMBL27664841

CC(C=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.46
MLYCD O95822 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.45
BCL2A1 Q16548 1/20 0.45
ENPP2 Q13822 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL27583942 0.83 SIRT6 (0.60) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL27664839 0.82 SLC6A2 (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL30198400 0.79 SIRT6 (0.66) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL1203455 0.79 SIRT6 (0.66) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2627249 0.78 MAPT (0.69) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27895699 0.77 ALDH1A1 (0.66) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL533010 0.77 MAPT (0.66) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL15272176 0.77 MAPT (0.66) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL14140324 0.76 MEN1 (0.60) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5165090 0.76 MAPT (0.54) KDM4EMAPTMEN1KMT2AALDH1A1

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
CN-1989138-A 2-Substituted-4-heteroaryl-pyrimidines useful in the treatment of proliferative diseases CYCLACEL LTD (GB) 2007-06-27 CN disclosed