SCHEMBL2444262

SCHEMBL2444262

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.48
ALOX5 P09917 1/20 0.45
ROCK2 O75116 3/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
PAX8 Q06710 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MRE11 P49959 2/20 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
Bromide SCHEMBL2380703 0.99 ROCK1 (0.47) ROCK1ALOX5ROCK2MEN1KMT2A
SCHEMBL2379112 0.90 RAB9A (0.53) ROCK1ALOX5ROCK2MEN1KMT2A
SCHEMBL2380481 0.90 ROCK1 (0.58) ROCK1ALOX5ROCK2MEN1KMT2A
SCHEMBL2380433 0.89 ROCK2 (0.48) ROCK1ALOX5ROCK2MEN1KMT2A
SCHEMBL2382007 0.88 KMT2A (0.49) ROCK1ROCK2MEN1KMT2APAX8
SCHEMBL2419431 0.87 ROCK2 (0.49) ROCK1ROCK2MEN1KMT2APAX8
SCHEMBL2381307 0.86 ROCK2 (0.49) ROCK1ALOX5ROCK2MEN1KMT2A
SCHEMBL2443677 0.86 NPC1 (0.54) ROCK1ALOX5ROCK2MEN1KMT2A
SCHEMBL2380592 0.86 ROCK2 (0.53) ROCK1ROCK2MEN1KMT2ALMNA
Bromide SCHEMBL2378839 0.86 ROCK2 (0.48) ROCK1ROCK2MEN1KMT2APAX8

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