SCHEMBL2556824

SCHEMBL2556824

OB(O)c1ccc(C(F)(F)F)nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XDH P47989 1/20 0.40
PIN1 Q13526 1/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CTSS P25774 1/20 0.40
SYK P43405 1/20 0.39
KMO O15229 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL2553757 0.86 MGLL (0.45) MGLLADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL2559188 0.82 MGLL (0.43) MGLL
SCHEMBL2560758 0.81 XDH (0.40) ADORA2AADORA1XDHCTSSSYK
SCHEMBL2559916 0.75 MGLL (0.46) MGLLADORA2AADORA1ALDH1A1KMO
SCHEMBL2553996 0.75 KDM1A (0.56) MGLLALDH1A1SMN1; SMN2XDHPIN1
SCHEMBL2559950 0.74 KDM1A (0.49) MGLLALDH1A1XDHCTSSKMO
SCHEMBL2562179 0.73 TDO2 (0.47) MGLLADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL2562867 0.73 TDO2 (0.47) MGLLADORA2AADORA1ALDH1A1MAPK14
SCHEMBL2556657 0.73 MGLL (0.47) MGLLADORA2AADORA1ALDH1A1KMO
SCHEMBL12261034 0.73 MGLL (0.50) MGLLALDH1A1

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