SCHEMBL6942017

SCHEMBL6942017

CNNCC(O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
MAOB P27338 1/20 0.46
AOC3 Q16853 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL4047162 0.83 L3MBTL1 (0.54) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL1444225 0.81 KDM4E (0.78) KDM4EALDH1A1ADRB2ADRB1MAPT
SCHEMBL817445 0.80 TSHR (0.60) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL16414613 0.80 TSHR (0.60) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL16414719 0.80 TSHR (0.60) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL7774040 0.80 L3MBTL1 (0.50) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL7952233 0.79 SCN1A (0.50) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL11613592 0.79 KDM4E (0.49) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL5575173 0.79 KDM4E (0.49) KDM4EGAAALDH1A1MAOBAOC3
SCHEMBL773252 0.79 MAOB (0.55) KDM4EGAAALDH1A1MAOBAOC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed