SCHEMBL2558822

SCHEMBL2558822

OB(O)c1c(C(F)(F)F)ccnc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
KCNA5 P22460 3/20 0.46
KCNH2 Q12809 1/20 0.46
KMO O15229 2/20 0.44
MGLL Q99685 1/20 0.44
SCN2A Q99250 2/20 0.44
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
NPY5R Q15761 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
RORB Q92753 2/20 0.40
PIM1 P11309 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
SCHEMBL15330557 0.85 TDO2 (0.46) TDO2KCNA5KCNH2KMOMGLL
SCHEMBL2562841 0.82 TRPV1 (0.44) MGLLSCN2A
SCHEMBL2562867 0.78 TDO2 (0.47) TDO2KCNA5KCNH2KMOMGLL
SCHEMBL2562179 0.78 TDO2 (0.47) TDO2KCNA5KCNH2KMOMGLL
SCHEMBL2556677 0.74 KMO (0.43) KMO
SCHEMBL2558144 0.72 KMO (0.44) TDO2KMOMGLLSCN2ANPY5R
SCHEMBL2562262 0.72 NISCH (0.40) KCNH2SCN2ANPY5R
SCHEMBL21352375 0.72 HSD11B1 (0.40) KMO
SCHEMBL7676429 0.72 MAPK14 (0.60) TDO2KCNA5KCNH2KMOSCN2A
SCHEMBL2552006 0.72

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