SCHEMBL1620192

SCHEMBL1620192

CC(C)(C)N(CCN1CC2CN(CCOc3ccc(Br)cc3F)CC(C1)O2)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTR1B P28222 1/20 0.41
KDM1A O60341 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL1619062 0.86 HRH3 (0.43) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL1619357 0.82 HRH3 (0.48) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL1619395 0.81 HRH3 (0.45) KDM4EALDH1A1KDM1AHTTPOLB
SCHEMBL4125532 0.80 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL1619052 0.79 HRH3 (0.48) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL1619360 0.78 KCNH2 (0.39) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL1618885 0.74 KCNH2 (0.41) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL1619503 0.73 HRH3 (0.44) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3123075 0.71 S1PR1 (0.41) MEN1KMT2AHTTLMNA
SCHEMBL1619682 0.70 KCNH2 (0.45) KDM4EALDH1A1MEN1TDP1MAPT

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
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed