SCHEMBL2419031

SCHEMBL2419031

COc1ccc(F)cc1-c1csc(N=C(N)NCc2c(OC)cccc2OC)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 12/20 0.53
ATP4B P51164 12/20 0.53
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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 SCHEMBL5623480 0.99 ATP4A (0.53) ATP4AATP4BKMT2AMEN1NPC1
SCHEMBL2380491 0.92 ATP4A (0.53) ATP4AATP4B
SCHEMBL2380405 0.91 ATP4A (0.49) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL2449269 0.89 ATP4A (0.67) ATP4AATP4BNPC1ALDH1A1
SCHEMBL2446392 0.88 ATP4A (0.51) ATP4AATP4BKMT2AMEN1NPC1
Bromide SCHEMBL2379078 0.88 ATP4A (0.68) ATP4AATP4BNPC1ALDH1A1
Bromide SCHEMBL2378136 0.87 ATP4A (0.50) ATP4AATP4BKMT2AMEN1NPC1
SCHEMBL2451046 0.87 ATP4A (0.56) ATP4AATP4BKMT2AMEN1NPC1
SCHEMBL2382010 0.87 ATP4A (0.55) ATP4AATP4BNPC1CYP1A1CYP1B1
Bromide SCHEMBL2379940 0.86 ATP4A (0.57) ATP4AATP4BKMT2AMEN1CYP1A1

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