SCHEMBL2426480

SCHEMBL2426480

COc1cccc(OC)c1CN=C(N)Nc1nc2cc(Cl)c(C)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.44
CSNK1D P48730 6/20 0.42
ATP4A P20648 3/20 0.42
ATP4B P51164 3/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ABL1 P00519 1/20 0.40
MEN1 O00255 2/20 0.38
GHSR Q92847 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL2450562 0.82 NPC1 (0.55) NPC1RAB9AKMT2AATP4AATP4B
SCHEMBL2426475 0.79 NPC1 (0.47) NPC1RAB9AKMT2ACSNK1DKDM4E
Fumaric Acid SCHEMBL2380818 0.73 NPC1 (0.46) NPC1RAB9AKMT2ACSNK1DKDM4E
SCHEMBL2379807 0.73 ATP4A (0.59) ATP4AATP4B
SCHEMBL2448781 0.72 ATP4A (0.57) NPC1RAB9AKMT2AATP4AATP4B
SCHEMBL2380575 0.72 ATP4A (0.69) ATP4AATP4B
SCHEMBL2443764 0.72 ATP4A (0.60) ATP4AATP4B
SCHEMBL2379505 0.72 NPC1 (0.55) NPC1RAB9AKMT2ACSNK1DATP4A
SCHEMBL2379141 0.71 ATP4A (0.56) ATP4AATP4B
Bromide SCHEMBL2378100 0.71 ATP4A (0.59) NPC1RAB9AKMT2AATP4AATP4B

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 6 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
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed