SCHEMBL2553749

SCHEMBL2553749

O=Cc1cccc(OCCN2CCNC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.49
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
POLB P06746 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN9A Q15858 3/20 0.41
SCN5A Q14524 2/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALK Q9UM73 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 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
SCHEMBL29954771 1.00 PDK2 (0.49) PDK2MAOAMAOBPOLBNPC1
SCHEMBL2558542 0.84 PDK2 (0.47) PDK2MAOAMAOBSCN9ASCN5A
SCHEMBL23581414 0.80 TBXAS1 (0.54) PDK2POLBSCN9ASCN5ASCN2A
SCHEMBL1662786 0.80 POLB (0.66) PDK2MAOAMAOBPOLBNPC1
SCHEMBL2558430 0.78 HPGD (0.44) PDK2SCN9AMAPTCYP2C9CYP2C19
SCHEMBL15502468 0.77 PDK2 (0.57) PDK2NPC1RAB9ATDP1SCN9A
SCHEMBL210600 0.77 KDM4E (0.62) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL29417693 0.77 KDM4E (0.62) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL1283353 0.77 LTA4H (0.61) POLBLMNAMAPK1HTTSMN1; SMN2
SCHEMBL29417804 0.77 LTA4H (0.61) POLBLMNAMAPK1HTTSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2593437-A1 MOLECULES HAVING COMBINABLE GROUPS Arkema France (FR) 2013-05-22 EP disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2012007684-A1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2012-01-19 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed