SCHEMBL2446445

SCHEMBL2446445

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccccc2C(F)(F)F)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.47
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MRE11 P49959 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MPL P40238 2/20 0.40
NAMPT P43490 1/20 0.40
HPGDS O60760 1/20 0.40
KDM4E B2RXH2 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 SCHEMBL2380168 0.99 VCP (0.46) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2380490 0.90 ROCK2 (0.52) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2449265 0.89 ATP4A (0.53) VCPATP4AATP4BKMT2AMEN1
Bromide SCHEMBL2379076 0.88 ATP4A (0.55) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2451042 0.87 KMT2A (0.48) VCPATP4AATP4BKMT2AMEN1
Bromide SCHEMBL2379936 0.86 KMT2A (0.48) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2380570 0.86 GSTO1 (0.48) VCPATP4AATP4BKMT2AMEN1
SCHEMBL2380433 0.83 ROCK2 (0.48) KMT2AMEN1ROCK2ROCK1MAPK1
SCHEMBL2447459 0.83 MEN1 (0.44) KMT2AMEN1ROCK2ROCK1MAPK1
SCHEMBL2379701 0.83 KMT2A (0.46) VCPATP4AATP4BKMT2AMEN1

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