SCHEMBL529662

SCHEMBL529662

O=C(O)N[C@H]1CC1c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.56
TLR1 Q15399 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM1A O60341 13/20 0.50
MAOB P27338 7/20 0.50
MAOA P21397 4/20 0.50
KCNH2 Q12809 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
KDM1B Q8NB78 1/20 0.46
CNR1 P21554 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL529661 1.00 TLR2 (0.56) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL2562813 1.00 TLR2 (0.56) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL11888836 0.84 KDM1A (0.63) KDM1AMAOBMAOA
SCHEMBL11888872 0.84 SMN1; SMN2 (0.54) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL11888871 0.84 SMN1; SMN2 (0.54) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL7980208 0.83 SMN1; SMN2 (0.73) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL6153775 0.83 SMN1; SMN2 (0.73) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL6154005 0.83 SMN1; SMN2 (0.73) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL3457343 0.83 SMN1; SMN2 (0.73) TLR2TLR1SMN1; SMN2NPSR1KDM1A
SCHEMBL19357558 0.83 KDM1A (0.65) KDM1AMAOBMAOARCOR1KDM1B

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-2598482-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Genomics, S.A. (ES) 2013-06-05 EP disclosed
WO-2012013728-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed