SCHEMBL2559299

SCHEMBL2559299

Cc1cnc(-c2ccc(OC(F)(F)F)cc2)cc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SCN5A Q14524 2/20 0.45
SCN10A Q9Y5Y9 6/20 0.45
PPARD Q03181 2/20 0.42
ACP1 P24666 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP1A2 P05177 1/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
SCN2A Q99250 2/20 0.39
PTGER4 P35408 1/20 0.39
DHODH Q02127 1/20 0.39
SCN1A P35498 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
FAAH O00519 3/20 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
SCHEMBL2555305 0.85 DYRK1A (0.47) SCN10AKCNH2
SCHEMBL2555355 0.85 SCN5A (0.44) SCN5ASCN10AACP1ADORA3CYP1A2
SCHEMBL2559931 0.81 TDO2 (0.46) KDM4EPPARDADORA3CYP1A2ABL1
SCHEMBL2557838 0.78 SCN10A (0.41) KDM4EGAAMAPTMAPK1SCN5A
SCHEMBL2553137 0.76 ABL1 (0.44) ABL1SCN9A
SCHEMBL3713987 0.75 CYP1A2 (0.43) KDM4EGAAMAPTSCN5ASCN10A
SCHEMBL2553990 0.74 SCN5A (0.47) KDM4EGAAMAPTMAPK1SCN5A
SCHEMBL2556002 0.74 RAB9A (0.43) KDM4ESCN5ASCN10APPARDSCN2A
SCHEMBL29957379 0.74 GPR3 (0.42) KDM4EGAAMAPTMAPK1ABL1
SCHEMBL13471699 0.73 CCR1 (0.48) KDM4EGAAMAPTMAPK1SCN5A

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