SCHEMBL6944649

SCHEMBL6944649

S=C(Nc1cc(Cl)cc(Cl)c1)Nc1c[c]ccc1Nc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6841756 0.82 MAOB (0.54) MAOBIDO1ALDH1A1MAPTMEN1
SCHEMBL28289727 0.73 MAPT (0.35) IDO1ALDH1A1MAPTMEN1HPGD
SCHEMBL7102655 0.73 MAOB (0.53) MAOBIDO1ALDH1A1MAPTMEN1
SCHEMBL15484146 0.71 IDO1 (0.75) MAOBIDO1ALDH1A1MAPTMEN1
SCHEMBL6841445 0.70 MAOB (0.47) MAOBIDO1ALDH1A1MAPTMEN1
SCHEMBL7098462 0.70 MAOB (0.61) MAOBIDO1ALDH1A1MAPTMEN1
SCHEMBL6841201 0.68 ALDH1A1 (0.55) MAOBALDH1A1MAPTMEN1HPGD
SCHEMBL4341689 0.68 MAOB (0.54) MAOBIDO1ALDH1A1MAPTMEN1
SCHEMBL6836479 0.67 MAOB (0.57) MAOBIDO1ALDH1A1MAPTMEN1
SCHEMBL5445907 0.67 MAPT (0.75) MAOBALDH1A1MAPTMEN1KMT2A

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-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 WO disclosed