SCHEMBL2448853

SCHEMBL2448853

COc1cccc(OC)c1CNC(N)=Nc1nc(-c2ccccc2)c(C)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.48
ATP4B P51164 6/20 0.48
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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 SCHEMBL2379363 0.99 ATP4A (0.48) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL2379242 0.92 ATP4A (0.42) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL2380620 0.81 NPC1 (0.43) MEN1KMT2AALDH1A1HSD17B10GAA
SCHEMBL2446557 0.81 KDR (0.43) MEN1KMT2AHTTALDH1A1HSD17B10
SCHEMBL14888075 0.80 MAPT (0.43) MEN1MAPTKMT2ALMNAHTT
Bromide SCHEMBL2396710 0.80 KDR (0.42) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL2380595 0.80 ATP4A (0.53) ATP4AATP4BMAPT
SCHEMBL2416752 0.78 ATP4A (0.45) ATP4AATP4BMEN1MAPTKMT2A
Bromide SCHEMBL2378277 0.77 ATP4A (0.47) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL2420479 0.77 RAB9A (0.41) MEN1MAPTKMT2ALMNAHTT

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