SCHEMBL2448823

SCHEMBL2448823

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ncccn2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
ADORA3 P0DMS8 1/20 0.41
CYP19A1 P11511 1/20 0.40
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
PAX8 Q06710 1/20 0.40
RAB9A P51151 3/20 0.40
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
OPRK1 P41145 1/20 0.40
CASP3 P42574 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 SCHEMBL2379344 0.99 ROCK2 (0.45) ROCK2ROCK1ADORA3CYP19A1MEN1
SCHEMBL2381351 0.94 ROCK2 (0.43) ROCK2ROCK1ADORA3CYP19A1MEN1
SCHEMBL2378905 0.93 ROCK1 (0.42) ROCK2ROCK1ADORA3CYP19A1MEN1
SCHEMBL2379671 0.89 L3MBTL1 (0.53) ROCK2ROCK1ADORA3MEN1KMT2A
SCHEMBL2380469 0.88 ROCK2 (0.45) ROCK2ROCK1MEN1KMT2APAX8
SCHEMBL2379696 0.87 ROCK1 (0.60) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL2379555 0.86 ROCK1 (0.42) ROCK2ROCK1MEN1KMT2APAX8
SCHEMBL2380592 0.86 ROCK2 (0.53) ROCK2ROCK1ADORA3MEN1KMT2A
SCHEMBL2449265 0.86 ATP4A (0.53) ROCK2ROCK1CYP19A1MEN1KMT2A
Bromide SCHEMBL2379076 0.85 ATP4A (0.55) ROCK2ROCK1CYP19A1MEN1KMT2A

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-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-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
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed