SCHEMBL2168241

SCHEMBL2168241

COc1ccc([C@@H](C)CNCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.68
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
GPR35 Q9HC97 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL5970737 1.00 BCHE (0.68) BCHEMEN1KMT2AALDH1A1HTT
SCHEMBL7649318 0.87 MEN1 (0.63) BCHEMEN1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL7606946 0.86 MEN1 (0.62) BCHEMEN1KMT2AALDH1A1HTT
SCHEMBL4019779 0.85 MEN1 (0.78) BCHEMEN1KMT2AALDH1A1HTT
SCHEMBL7525052 0.85 BCHE (0.71) BCHEMEN1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL4015079 0.84 MEN1 (0.76) BCHEMEN1KMT2AALDH1A1HTT
SCHEMBL6715245 0.83 KDM4E (0.60) MEN1KMT2AALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL9392708 0.82 MEN1 (0.55) BCHEMEN1KMT2AALDH1A1HTT
SCHEMBL9372958 0.82 KMT2A (0.67) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL4575623 0.81 BCHE (0.50) BCHEMEN1KMT2AALDH1A1HTT

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-2348013-A1 Process for preparation of intermediates of arformoterol INKE, S.A. (ES) 2011-07-27 EP disclosed