SCHEMBL2426475

SCHEMBL2426475

COc1cccc(OC)c1CNC(=N)Nc1nc2cc(Cl)c(C)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CSNK1D P48730 8/20 0.45
KMT2A Q03164 2/20 0.45
ABL1 P00519 3/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LCK P06239 2/20 0.40
GHSR Q92847 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
Fumaric Acid SCHEMBL2380818 0.93 NPC1 (0.46) NPC1RAB9ACSNK1DKMT2AABL1
SCHEMBL2420475 0.92 CSNK1D (0.46) NPC1RAB9ACSNK1DKMT2AABL1
Fumaric Acid SCHEMBL2380245 0.85 CSNK1D (0.45) NPC1RAB9ACSNK1DKMT2AABL1
SCHEMBL2423252 0.85 CSNK1D (0.60) NPC1RAB9ACSNK1DKMT2AABL1
SCHEMBL2450558 0.82 NPC1 (0.56) NPC1RAB9ACSNK1DKMT2AMAPT
SCHEMBL2426480 0.79 NPC1 (0.46) NPC1RAB9ACSNK1DKMT2AABL1
Fumaric Acid SCHEMBL2379209 0.78 CSNK1D (0.58) NPC1RAB9ACSNK1DKMT2AABL1
SCHEMBL2421008 0.73 CSNK1D (0.71) NPC1RAB9ACSNK1DABL1MAPT
SCHEMBL6057748 0.73 LCK (0.75) LCK
SCHEMBL2448850 0.73 ALOX5 (0.54) NPC1RAB9AKMT2AMAPTKDM4E

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