SCHEMBL19953602

SCHEMBL19953602

c1ccc2ncc(CNC3CC3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
TACR1 P25103 1/20 0.49
TACR3 P29371 1/20 0.49
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 2/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HPGDS O60760 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PDE10A Q9Y233 1/20 0.42
GRIN2B Q13224 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13263225 0.94 KDM1A (0.60) KDM1AMAOAMAOBTACR1TACR3
SCHEMBL13797297 0.81 MCHR1 (0.56) KDM1AMAOAMAOB
SCHEMBL30447198 0.81 MAP4K4 (0.47) KDM1AMAOAMAOBGRIN2B
SCHEMBL6866273 0.79 NSD2 (0.62) KDM1AMAOAMAOBCYP1A2MEN1
SCHEMBL6866279 0.79 NSD2 (0.62) KDM1AMAOAMAOBCYP1A2MEN1
SCHEMBL4040793 0.79 ACHE (0.52) MEN1KMT2AFAAHROCK2
SCHEMBL3364282 0.79 KDM1A (0.60) KDM1AMAOAMAOBTACR1TACR3
SCHEMBL22779486 0.78 KDM1A (0.51) KDM1AMAOAMAOBCYP1A2RAB9A
SCHEMBL2755986 0.77 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL239554 0.77 KDM1A (1.00) KDM1AMAOAMAOB

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-3509627-A1 LYSINE SPECIFIC HISTONE DEMETHYLASE-1 INHIBITORS AND USES THEREFOR University of Canberra (AU) 2019-07-17 EP disclosed
WO-2018045422-A1 LYSINE SPECIFIC HISTONE DEMETHYLASE-1 INHIBITORS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2018-03-15 WO disclosed