SCHEMBL6653657

SCHEMBL6653657

CCCCc1c(C)c(C#N)c2[nH]c3cc(C(=O)OCC)ccc3n2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.66
GAA P10253 9/20 0.66
ALDH1A1 P00352 8/20 0.66
HPGD P15428 6/20 0.66
HTT P42858 4/20 0.66
APAF1 O14727 3/20 0.66
LMNA P02545 2/20 0.66
NOD2 Q9HC29 1/20 0.66
MAPT P10636 10/20 0.61
GLA P06280 6/20 0.61
KMT2A Q03164 4/20 0.61
STAT6 P42226 1/20 0.61
HIF1A Q16665 1/20 0.61
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.50
ATM Q13315 2/20 0.50
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 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
SCHEMBL6651847 0.93 KDM4E (0.66) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6311488 0.80 KDM4E (1.00) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6652182 0.80 KDM4E (0.72) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6311878 0.76 KDM4E (0.91) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6318629 0.73 HPGD (0.64) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6652217 0.72 KDM4E (0.81) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6649341 0.72 KDM4E (0.75) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6313764 0.72 KDM4E (0.72) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6312322 0.71 RAB9A (0.64) KDM4EGAAALDH1A1HPGDHTT
SCHEMBL6311835 0.69 KDM4E (0.80) KDM4EGAAALDH1A1HPGDHTT

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-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed