SCHEMBL2447459

SCHEMBL2447459

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 4/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PAX8 Q06710 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPA1 O75762 2/20 0.41
TRPV3 Q8NET8 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
RORB Q92753 1/20 0.39
ALK Q9UM73 1/20 0.39

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 SCHEMBL2379987 0.99 MEN1 (0.43) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2379498 0.93 TRPA1 (0.48) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2380433 0.91 ROCK2 (0.48) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2441509 0.87 MEN1 (0.48) MEN1KMT2AROCK2ROCK1ALDH1A1
Bromide SCHEMBL2379365 0.86 MEN1 (0.47) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2382007 0.85 KMT2A (0.49) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2380592 0.85 ROCK2 (0.53) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2446391 0.84 CYP1A1 (0.50) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2379696 0.84 ROCK1 (0.60) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL2444262 0.84 ROCK1 (0.48) MEN1KMT2AROCK2ROCK1ALDH1A1

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 3 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