SCHEMBL7350772

SCHEMBL7350772

CCOc1c(Nc2cccc3cccnc23)c(=O)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
POLB P06746 5/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.49
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
GLO1 Q04760 1/20 0.46
HDAC6 Q9UBN7 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDR P35968 2/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
STK10 O94804 1/20 0.42
SLK Q9H2G2 1/20 0.42
LMNA P02545 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
SCHEMBL7346526 0.83 IDO1 (0.54) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL7090682 0.81 GAA (0.60) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL7091511 0.81 GAA (0.60) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL3721262 0.81 GAA (0.68) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL7554952 0.80 GAA (0.59) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL7348008 0.79 TDP1 (0.52) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL7347625 0.79 GAA (0.54) GAAPOLBSMN1; SMN2HTTHDAC6
SCHEMBL7345513 0.76 MEN1 (0.49) POLBKMT2ASMN1; SMN2MEN1ALOX15
SCHEMBL23421493 0.74 GAA (0.62) GAAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL23446843 0.73 GAA (0.69) GAAPOLBKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729457-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-12-23 EP disclosed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP disclosed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US disclosed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO disclosed
US-5403854-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-04-04 US disclosed
US-5403853-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-04-04 US disclosed
US-5401753-A Smooth muscle relaxants for urogenital disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-28 US disclosed
US-5397790-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-14 US disclosed
US-5354763-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-10-11 US disclosed