SCHEMBL873385

SCHEMBL873385

FC(F)OCOc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.51
SOD1 P00441 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.42
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL873981 0.82 MAOB (0.51) MAOBSOD1KDM4EHSD17B10ALDH1A1
SCHEMBL3934890 0.79 MAOB (0.49) MAOBSOD1KDM4EHSD17B10ALDH1A1
SCHEMBL16031895 0.78 MAOB (0.55) MAOBSOD1KDM4EHSD17B10ALDH1A1
SCHEMBL2496417 0.77 KCNA3 (0.46) ALDH1A1LMNAMAOA
SCHEMBL6467512 0.76 MAOB (0.53) MAOBSOD1KDM4EALDH1A1RAB9A
SCHEMBL943678 0.76 MAOB (0.56) MAOBSOD1KDM4EHSD17B10ALDH1A1
SCHEMBL30788655 0.76 MAOB (0.56) MAOBSOD1KDM4EHSD17B10ALDH1A1
SCHEMBL2794321 0.75 MAOB (0.51) MAOBKDM4EALDH1A1RAB9ALMNA
SCHEMBL29539883 0.75 DRD1 (0.46) MAOBKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL22904 0.75 DRD1 (0.46) MAOBKDM4EHSD17B10ALDH1A1RAB9A

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-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed