SCHEMBL2444356

SCHEMBL2444356

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2csc3ccccc23)cs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
VCP P55072 1/20 0.41
NAMPT P43490 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 1/20 0.38
C1S P09871 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
Bromide SCHEMBL2379900 0.99 ATP4A (0.43) KMT2AMEN1ROCK2ROCK1ATP4A
SCHEMBL2449265 0.88 ATP4A (0.53) KMT2AMEN1ROCK2ROCK1ATP4A
Bromide SCHEMBL2379076 0.87 ATP4A (0.55) KMT2AMEN1ROCK2ROCK1ATP4A
SCHEMBL2379701 0.85 KMT2A (0.46) KMT2AMEN1ROCK2ROCK1ATP4A
SCHEMBL2380570 0.85 GSTO1 (0.48) KMT2AMEN1ROCK2ROCK1ATP4A
SCHEMBL2451042 0.84 KMT2A (0.48) KMT2AMEN1ROCK2ROCK1ATP4A
SCHEMBL2380592 0.83 ROCK2 (0.53) KMT2AMEN1ROCK2ROCK1MAPT
SCHEMBL2380469 0.83 ROCK2 (0.45) KMT2AMEN1ROCK2ROCK1ATP4A
Bromide SCHEMBL2379936 0.83 KMT2A (0.48) KMT2AMEN1ROCK2ROCK1ATP4A
SCHEMBL2449599 0.82 SAE1 (0.55) KMT2AMEN1ROCK2ROCK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed