SCHEMBL14449142

SCHEMBL14449142

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.69
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35

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
Bromide SCHEMBL1729157 0.99 F2R (0.69) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1731007 0.95 F2R (0.65) F2RALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14449151 0.94 F2R (0.59) F2RMAPTKDM4ELMNA
Bromide SCHEMBL5491806 0.93 F2R (0.61) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1730396 0.93 F2R (0.60) F2RMAPTKDM4ELMNA
Bromide SCHEMBL1730464 0.92 F2R (0.69) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL5490738 0.91 F2R (0.59) F2RALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1729310 0.91 F2R (0.60) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1729568 0.91 F2R (0.58) F2RMAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL1731190 0.91 F2R (0.69) F2RMAPTKDM4ELMNA

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-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed