SCHEMBL2556835

SCHEMBL2556835

OB(O)c1ccnc(C(F)(F)F)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 7/20 0.39
SCN5A Q14524 6/20 0.39
KCNH2 Q12809 4/20 0.39
SCN1A P35498 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
NPY5R Q15761 1/20 0.37
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CYP1A2 P05177 1/20 0.36
GRM2 Q14416 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2558555 0.86 NPSR1 (0.41) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL15331192 0.84 KCNH2 (0.44) SCN10AKCNH2SCN9ANPY5R
SCHEMBL2557369 0.82 KIF11 (0.42)
SCHEMBL2561424 0.78 TRPV1 (0.42) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL2556074 0.76 TRPV1 (0.46) SCN10ASCN5AKCNH2SCN1ASCN9A
SCHEMBL15330093 0.76 HSD11B1 (0.40) SCN9AKDM4EALDH1A1MAPT
SCHEMBL2558031 0.73 SCN5A (0.43) SCN10ASCN5ACYP1A2GRM2KDM4E
SCHEMBL2563010 0.73 HTT (0.32)
SCHEMBL2558144 0.72 KMO (0.44) SCN2ANPY5RNPC1ALDH1A1MAPT
SCHEMBL2562262 0.72 NISCH (0.40) SCN10ASCN5AKCNH2SCN1ASCN9A

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