SCHEMBL2443736

SCHEMBL2443736

COc1cccc(OC)c1CN=C(N)Nc1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.60
KMT2A Q03164 12/20 0.60
ATP4A P20648 8/20 0.59
ATP4B P51164 8/20 0.59
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PAX8 Q06710 1/20 0.48

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 SCHEMBL2380198 0.99 MEN1 (0.59) MEN1KMT2AATP4AATP4BRAB9A
SCHEMBL2441512 0.88 ATP4A (0.58) MEN1KMT2AATP4AATP4BALDH1A1
SCHEMBL2443336 0.87 ATP4A (0.62) MEN1KMT2AATP4AATP4BALDH1A1
Bromide SCHEMBL2379367 0.87 ATP4A (0.59) MEN1KMT2AATP4AATP4BALDH1A1
SCHEMBL2379298 0.87 ATP4A (0.59) MEN1KMT2AATP4AATP4BRAB9A
Bromide SCHEMBL2380483 0.86 ATP4A (0.63) MEN1KMT2AATP4AATP4BALDH1A1
SCHEMBL2443681 0.86 ATP4A (0.66) MEN1KMT2AATP4AATP4BRAB9A
SCHEMBL2490871 0.86 ATP4A (0.68) MEN1KMT2AATP4AATP4BRAB9A
SCHEMBL2380822 0.85 ATP4A (0.55) MEN1KMT2AATP4AATP4BRAB9A
Bromide SCHEMBL2380835 0.85 ATP4A (0.67) MEN1KMT2AATP4AATP4BRAB9A

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