SCHEMBL2556058

SCHEMBL2556058

Cc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
SCN10A Q9Y5Y9 3/20 0.40
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CACNA2D1 P54289 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
SCN5A Q14524 2/20 0.37
PTGER4 P35408 1/20 0.37
KCNH2 Q12809 2/20 0.36
SCN1A P35498 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL2558014 0.84 DYRK1A (0.43) SCN10AKCNH2
SCHEMBL2562262 0.83 NISCH (0.40) TRPV1SCN10AKDM5AKDM2BKDM4C
SCHEMBL2556074 0.82 TRPV1 (0.46) TRPV1SCN10AKDM5AKDM2BKDM4C
SCHEMBL2561400 0.81 TRPV1 (0.45) TRPV1
SCHEMBL2561424 0.78 TRPV1 (0.42) TRPV1SCN10AKDM5AKDM2BKDM4C
SCHEMBL2559126 0.76 HSD11B1 (0.40) SCN10AALDH1A1SCN5ASCN9ASCN2A
SCHEMBL2558555 0.74 NPSR1 (0.41) TRPV1SCN10AKDM5AKDM2BKDM4C
SCHEMBL2557838 0.72 SCN10A (0.41) TRPV1SCN10ACACNA2D1KDM4EGAA
SCHEMBL2557332 0.71 GRM2 (0.40) TRPV1SCN10ACACNA2D1NISCHSCN5A
SCHEMBL15330557 0.71 TDO2 (0.46) TRPV1KDM4EALDH1A1KCNH2SCN2A

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