SCHEMBL2555221

SCHEMBL2555221

Cc1ccc(SCc2cccc(B(O)O)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.47
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
EPHX1 P07099 1/20 0.39
FFAR1 O14842 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
DAO P14920 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SCN9A Q15858 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
SCHEMBL2557863 0.83 LPL (0.47) LPLLIPGMAPTMAOAMAOB
SCHEMBL29957934 0.79 ENPP2 (0.54) ENPP2LPLLIPGDAOKDM4E
SCHEMBL2559427 0.79 ENPP2 (0.47) ENPP2LPLLIPGEPHX1CXCR1
SCHEMBL2555471 0.78 ENPP2 (0.46) ENPP2LPLLIPGEPHX1CXCR1
SCHEMBL29956268 0.78 ENPP2 (0.49) ENPP2LPLLIPGEPHX1CXCR1
SCHEMBL29955814 0.77 ENPP2 (0.59) ENPP2LPLLIPGDAOSMN1; SMN2
SCHEMBL2559034 0.77 HTT (0.60) ENPP2LPLLIPGHTTSMN1; SMN2
SCHEMBL1124799 0.76 ENPP2 (0.50) ENPP2LPLLIPGDAOKDM4E
SCHEMBL2555479 0.75 ENPP2 (0.46) ENPP2LPLLIPGEPHX1CXCR1
SCHEMBL2553795 0.73 LIPG (0.39) LIPGCXCR1CXCR2DAOSMN1; SMN2

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