SCHEMBL2561002

SCHEMBL2561002

Cc1ccccc1-c1csc(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
MAPT P10636 2/20 0.37
HTR7 P34969 2/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
PDK2 Q15119 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2559750 0.79 ESR1 (0.39) MAPTPDK2NPC1RAB9ASMN1; SMN2
SCHEMBL27223715 0.79 MAPT (0.34) MAPTPDK2SMN1; SMN2MGLL
SCHEMBL2557653 0.79 ERN1 (0.44) HTR7ATP4AATP4BPDK2CA12
SCHEMBL15472195 0.76 ALDH1A1 (0.45) MCL1HTR7ATP4AATP4BPDK2
SCHEMBL290331 0.76 MGLL (0.45) MAPTCA1CA2NPC1RAB9A
SCHEMBL28212681 0.73 HTR7 (0.38) MCL1HTR7ATP4AATP4BPDK2
SCHEMBL2556986 0.73 CA2 (0.40) MCL1MAPTCA2HPGDNPC1
SCHEMBL2556636 0.72 ATP4A (0.39) MAPTATP4AATP4BMEN1CYP3A4
SCHEMBL1802211 0.71 HPGD (0.53) MCL1HPGDCTSA
SCHEMBL5987885 0.69 MCL1 (0.47) MCL1HTR7PDK2CA12CA1

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