SCHEMBL2419944

SCHEMBL2419944

COc1ccc(F)cc1CNC(=N)Nc1nc(C)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK10 P53779 1/20 0.48
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GCK P35557 5/20 0.42
PYGL P06737 1/20 0.42
MITF O75030 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ROCK2 O75116 1/20 0.41

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 SCHEMBL2379189 0.92 KDM4E (0.47) SMN1; SMN2KDM4ELMNATSHRMAPK1
SCHEMBL2379519 0.87 POLB (0.55) SMN1; SMN2KDM4ELMNATSHRMAPK1
SCHEMBL2379289 0.84 ROCK2 (0.56) SMN1; SMN2KDM4ELMNAMAPK1RAB9A
SCHEMBL2379440 0.81 ALDH1A1 (0.49) SMN1; SMN2KDM4ELMNATSHRMAPK1
SCHEMBL2378938 0.81 RAB9A (0.50) SMN1; SMN2KDM4ELMNATSHRMAPK1
SCHEMBL2380448 0.79 ROCK2 (0.57) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL2419027 0.76 KMT2A (0.52) SMN1; SMN2LMNAMAPK1RAB9ANPC1
Bromide SCHEMBL5623476 0.75 KMT2A (0.51) SMN1; SMN2LMNAMAPK1RAB9ANPC1
SCHEMBL2379641 0.75 ROCK2 (0.50) SMN1; SMN2MAPK1POLBPKMALDH1A1
SCHEMBL2419946 0.75 POLB (0.42) SMN1; SMN2KDM4ELMNATSHRMAPK1

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