SCHEMBL2447461

SCHEMBL2447461

COc1cccc(OC)c1CN=C(N)Nc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 13/20 0.55
ATP4B P51164 13/20 0.55
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 SCHEMBL2379991 0.99 ATP4A (0.56) ATP4AATP4BMEN1KMT2APAX8
SCHEMBL2441512 0.87 ATP4A (0.58) ATP4AATP4BMEN1KMT2APAX8
Bromide SCHEMBL2379367 0.86 ATP4A (0.59) ATP4AATP4BMEN1KMT2APAX8
SCHEMBL2490871 0.85 ATP4A (0.68) ATP4AATP4BMEN1KMT2A
SCHEMBL2443736 0.83 MEN1 (0.60) ATP4AATP4BMEN1KMT2APAX8
SCHEMBL2443681 0.83 ATP4A (0.66) ATP4AATP4BMEN1KMT2A
Bromide SCHEMBL2380198 0.83 MEN1 (0.59) ATP4AATP4BMEN1KMT2APAX8
SCHEMBL2443336 0.82 ATP4A (0.62) ATP4AATP4BMEN1KMT2APAX8
Bromide SCHEMBL2380835 0.82 ATP4A (0.67) ATP4AATP4BMEN1KMT2A
SCHEMBL2379298 0.82 ATP4A (0.59) ATP4AATP4BMEN1KMT2AALDH1A1

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