SCHEMBL2562867

SCHEMBL2562867

OB(O)c1ccnc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
KMO O15229 2/20 0.44
MGLL Q99685 1/20 0.44
KCNA5 P22460 3/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK14 Q16539 6/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SCN2A Q99250 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PIM1 P11309 1/20 0.39
TOP2A P11388 1/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2562179 0.86 TDO2 (0.47) TDO2KMOMGLLKCNA5KCNH2
SCHEMBL2558678 0.82 KIF11 (0.42) MGLLALDH1A1
SCHEMBL2560837 0.82 KCNH2 (0.43) KCNA5KCNH2MAPK14PDE10A
SCHEMBL15330557 0.80 TDO2 (0.46) TDO2KMOMGLLKCNA5KCNH2
SCHEMBL2558822 0.78 TDO2 (0.47) TDO2KMOMGLLKCNA5KCNH2
SCHEMBL2559752 0.78 BRD4 (0.49) TDO2KMOMGLLSCN2ATOP2A
SCHEMBL2558144 0.78 KMO (0.44) TDO2KMOMGLLSCN2ATOP2A
SCHEMBL2559916 0.77 MGLL (0.46) KMOMGLLKCNA5ADORA2AADORA1
SCHEMBL2556657 0.75 MGLL (0.47) KMOMGLLKCNA5ADORA2AADORA1
Ammonia Solution, Strong SCHEMBL9046976 0.73 TDO2 (0.48) TDO2KMOKCNA5KCNH2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed