SCHEMBL2561008

SCHEMBL2561008

OB(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
PAX8 Q06710 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
KDM4E B2RXH2 5/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TOP1 P11387 2/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL15330189 0.84 MGLL (0.53) MGLLMEN1KMT2AKDM4EHSD17B10
SCHEMBL2553444 0.83 MGLL (0.49) MGLLMAPTADORA3ORAI1ORAI2
SCHEMBL2554456 0.82 ADORA3 (0.47) MAPTKMT2ANPSR1ADORA3KDM4E
SCHEMBL29956710 0.81 KDM4E (0.45) MGLLMAPTMEN1GAAMAPK1
SCHEMBL22321661 0.79 KIF11 (0.50) MAPTMEN1GAAMAPK1KMT2A
SCHEMBL28454234 0.77 MGLL (0.43) MGLLMAPTMEN1GAAKMT2A
SCHEMBL22321641 0.76 KDM4E (0.55) MAPTMEN1GAAMAPK1KMT2A
SCHEMBL17273900 0.75 MAPT (0.45) MAPTMEN1GAAMAPK1KMT2A
SCHEMBL28950359 0.74 MGLL (0.63) MGLLORAI1ORAI2ORAI3TRPV6
SCHEMBL2557427 0.74 MGLL (0.33) MGLLKDM4E

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