SCHEMBL5757063

SCHEMBL5757063

CCOC(=O)c1cnc2cc(-c3cccs3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
HDAC2 Q92769 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TNFRSF1A P19438 1/20 0.44
FOS P01100 2/20 0.44
JUN P05412 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 2/20 0.43

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
SCHEMBL5761134 0.82 NPC1 (0.58) MAOBKDM4EALDH1A1MAPTPDGFRB
SCHEMBL5757744 0.82 MGAM (0.54) HDAC2KDM4EMAPTPDGFRBPDGFRA
SCHEMBL10465995 0.79 MAOB (0.65) MAOBKDM4EALDH1A1MAPTPDGFRB
SCHEMBL8001650 0.78 MAOB (0.71) MAOBKDM4EALDH1A1MAPTPDGFRB
SCHEMBL2003093 0.77 MAPT (0.55) HDAC2KDM4EALDH1A1MAPTTSHR
SCHEMBL2202317 0.76 MAOB (0.66) MAOBPDGFRBPDGFRAKMT2ANPC1
SCHEMBL430324 0.76 MGAM (0.59) MAOBKDM4EALDH1A1MAPTKMT2A
SCHEMBL1285592 0.76 MAOB (0.76) MAOBKDM4EALDH1A1MAPTPDGFRB
SCHEMBL264108 0.76 MAOB (0.62) MAOBALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL5647010 0.75 MAOB (0.61) MAOBALDH1A1MAPTPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed