SCHEMBL27908161

SCHEMBL27908161

CC(C)(C)C(=O)ONC1CC1c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.46
MAOB P27338 5/20 0.46
MAOA P21397 4/20 0.46
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM1B Q8NB78 1/20 0.38

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
SCHEMBL27991097 0.87 KDM1A (0.54) KDM1AMAOBMAOA
SCHEMBL27908354 0.87 KDM1A (0.41) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL2215854 0.86 KDM1A (0.43) KDM1AMAOBMAOATLR2TLR1
SCHEMBL27898196 0.86 KDM1A (0.40) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL27898192 0.84 KDM1A (0.40) KDM1AMAOBMAOATLR2TLR1
SCHEMBL27903859 0.83 KDM1A (0.35) KDM1AMAOBMAOASLC6A4SLC6A3
SCHEMBL27915792 0.81 NPC1 (0.49) KDM1AMAOBMAOASMN1; SMN2
SCHEMBL27891316 0.79 MAOB (0.59) KDM1AMAOBMAOANPSR1
SCHEMBL28815307 0.76 KDM1A (0.56) KDM1AMAOBMAOA
SCHEMBL27974188 0.76 KDM1A (0.45) KDM1AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639496-B Lysine specific demethylase-1 inhibitors and their use ORYZON GENOMICS, S.A. (ES) 2014-10-29 CN disclosed
CN-103958474-A (hetero) arylcyclopropylamine compounds as LSD1 inhibitors ORYZON GENOMICS SA 2014-07-30 CN disclosed
CN-103124724-A Arylcyclopropylamine-based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS SA 2013-05-29 CN disclosed
CN-102947265-A Lysine specific demethylase-1 inhibitors and their use ORYZON GENOMICS SA 2013-02-27 CN disclosed