SCHEMBL2553308

SCHEMBL2553308

Cc1nccc(B(O)O)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
MGLL Q99685 1/20 0.43
TOP1 P11387 1/20 0.39
SLC11A2 P49281 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MLYCD O95822 1/20 0.37
TRPV3 Q8NET8 2/20 0.36
TRPV1 Q8NER1 3/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL2557369 0.86 KIF11 (0.42) KIF11MGLLTOP1SLC11A2ORAI1
SCHEMBL2559752 0.84 BRD4 (0.49) MGLLSLC11A2
SCHEMBL2558555 0.80 NPSR1 (0.41) KIF11TRPV1
SCHEMBL2553980 0.79 TRPV1 (0.43) KIF11MGLLTOP1ORAI1ORAI2
SCHEMBL2558678 0.76 KIF11 (0.42) KIF11MGLLTOP1ORAI1ORAI2
SCHEMBL2560065 0.74 HSD11B1 (0.43)
SCHEMBL29957856 0.73
SCHEMBL2561400 0.72 TRPV1 (0.45) KIF11MGLLTOP1ORAI1ORAI2
SCHEMBL2559903 0.72 DYRK1A (0.44)
SCHEMBL2558909 0.71 MGLL (0.43) KIF11MGLLORAI1ORAI2ORAI3

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