SCHEMBL2448760

SCHEMBL2448760

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2cc(-c3ccccc3)no2)cs1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
APP P05067 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PAX8 Q06710 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 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 SCHEMBL2379711 0.99 ROCK2 (0.44) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2380592 0.90 ROCK2 (0.53) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2443677 0.88 NPC1 (0.54) ROCK2ROCK1MEN1KMT2ANPC1
Bromide SCHEMBL2380827 0.87 NPC1 (0.53) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2380171 0.83 MEN1 (0.52) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2381416 0.83 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2379696 0.83 ROCK1 (0.60) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL2380643 0.82 ALDH1A1 (0.60) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2381307 0.82 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL2382007 0.82 KMT2A (0.49) ROCK2ROCK1MEN1KMT2ANPC1

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