SCHEMBL2553980

SCHEMBL2553980

Cc1c(B(O)O)ccnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.43
KIF11 P52732 2/20 0.42
MGLL Q99685 1/20 0.42
TOP1 P11387 1/20 0.41
SMO Q99835 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
DHODH Q02127 1/20 0.37
TOP2A P11388 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL2558678 0.84 KIF11 (0.42) TRPV1KIF11MGLLTOP1SMO
SCHEMBL2562179 0.82 TDO2 (0.47) TRPV1MGLLTOP2A
SCHEMBL2556074 0.81 TRPV1 (0.46) TRPV1
SCHEMBL2561400 0.80 TRPV1 (0.45) TRPV1KIF11MGLLTOP1ORAI1
SCHEMBL2553308 0.79 KIF11 (0.43) TRPV1KIF11MGLLTOP1ORAI1
SCHEMBL2562841 0.75 TRPV1 (0.44) TRPV1KIF11MGLLORAI1ORAI2
SCHEMBL2557369 0.75 KIF11 (0.42) KIF11MGLLTOP1ORAI1ORAI2
SCHEMBL2558938 0.74 MGLL (0.41) TRPV1KIF11MGLLTOP1ORAI1
SCHEMBL2552695 0.73 MGLL (0.43) KIF11MGLLSMOORAI1ORAI2
SCHEMBL2555332 0.73 MGLL (0.43) KIF11MGLLTOP1ORAI1ORAI2

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