SCHEMBL1730236

SCHEMBL1730236

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(Br)c(OC)c(N(C)C)c1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.61
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 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 SCHEMBL5484907 0.99 F2R (0.61) F2RMAPTKMT2AMEN1NCOA1
SCHEMBL1730786 0.90 F2R (0.61) F2RMAPTLMNAALDH1A1KDM4E
Bromide SCHEMBL5482722 0.89 F2R (0.61) F2RMAPTLMNAALDH1A1KDM4E
SCHEMBL1730513 0.89 F2R (0.74) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730070 0.89 F2R (0.60) F2RMAPTLMNAKDM4ENPC1
Bromide SCHEMBL1730449 0.88 F2R (0.75) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL1729331 0.88 F2R (0.67) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1728708 0.87 F2R (0.67) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730669 0.87 F2R (0.59) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL12151716 0.87 F2R (0.66) F2RMAPTKDM4ENPC1RAB9A

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