SCHEMBL7345513

SCHEMBL7345513

Nc1c(Nc2cccc3cccnc23)c(=O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 5/20 0.48
GLO1 Q04760 3/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC40A1 Q9NP59 6/20 0.47
NFKBIA P25963 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
RELA Q04206 1/20 0.47
PLAU P00749 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL7348008 0.82 TDP1 (0.52) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL7086950 0.78 SMN1; SMN2 (0.42) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL379216 0.78 GLO1 (0.59) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL7350772 0.76 GAA (0.58) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL7670546 0.75 BTK (0.40) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL13337941 0.75 MEN1 (0.56) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL2939028 0.74 MEN1 (0.58) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL2283401 0.74 KDR (0.56) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL7345496 0.74 PLK1 (0.57) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL7352314 0.74 LMNA (0.49) MEN1KMT2ABLMHTTCYP1A2

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