SCHEMBL14449147

SCHEMBL14449147

CCOc1cc2c(nc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.68
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34

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 SCHEMBL4262681 0.99 F2R (0.68) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1730048 0.93 F2R (0.59) F2RMAPTLMNA
SCHEMBL14469087 0.91 F2R (0.59) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL1732006 0.91 F2R (0.57) F2RMAPTKDM4EHTTLMNA
Bromide SCHEMBL1730340 0.90 F2R (0.68) F2RMAPTLMNA
Trifluoroacetic Acid SCHEMBL5488038 0.90 F2R (0.57) F2RMAPTLMNA
Bromide SCHEMBL1730482 0.90 F2R (0.60) F2R
Bromide SCHEMBL1731988 0.90 F2R (0.55) F2R
Bromide SCHEMBL1732826 0.89 F2R (0.54) F2RALDH1A1MEN1KMT2AL3MBTL1
Bromide SCHEMBL5484759 0.89 F2R (0.57) F2RMAPTLMNA

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