SCHEMBL2416745

SCHEMBL2416745

COc1cccc(OC)c1CNC(=N)Nc1nc2c(s1)Cc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.46
ADORA2A P29274 1/20 0.46
MAPT P10636 11/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 4/20 0.45
APAF1 O14727 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
TDP2 O95551 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 5/20 0.43
THRB P10828 3/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42

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 SCHEMBL2378274 0.99 ADORA1 (0.45) ADORA1ADORA2AMAPTALDH1A1KMT2A
SCHEMBL2383679 0.91 POLB (0.54) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL2381383 0.85 MAPT (0.56) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL2416752 0.77 ATP4A (0.45) ADORA1ADORA2AMAPTALDH1A1KMT2A
SCHEMBL2451063 0.77 MAPT (0.51) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL2448850 0.77 ALOX5 (0.54) MAPTALDH1A1KMT2ANPC1RAB9A
Bromide SCHEMBL2378277 0.77 ATP4A (0.47) ADORA1ADORA2AMAPTALDH1A1KMT2A
Bromide SCHEMBL2379354 0.76 ALOX5 (0.53) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL2449265 0.76 ATP4A (0.53) MAPTKMT2AMEN1KDM4EMAPK1
SCHEMBL2450558 0.76 NPC1 (0.56) ADORA1MAPTALDH1A1KMT2ANPC1

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