SCHEMBL1729623

SCHEMBL1729623

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1ccc3c(c1)C(C)(C)C(C)N3C)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.52
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4A O75164 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.31

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 SCHEMBL1731971 0.99 F2R (0.54) F2RMAPTTHRBMEN1KDM4A
Bromide SCHEMBL5484925 0.89 F2R (0.51) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730981 0.87 F2R (0.49) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1732128 0.86 F2R (0.54) F2RMAPTTHRBSMN1; SMN2KDM4E
Bromide SCHEMBL1730041 0.85 F2R (0.52) F2RMAPTTHRBMEN1KMT2A
SCHEMBL27527338 0.84 F2R (0.41) F2RMAPTTHRBMEN1KDM4A
Bromide SCHEMBL5484900 0.83 F2R (0.51) F2RMAPTTHRBKDM4ENPC1
Bromide SCHEMBL1730216 0.83 F2R (0.49) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL27505739 0.82 F2R (0.52) F2RMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27508138 0.82 F2R (0.50) F2R

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-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed