SCHEMBL2552971

SCHEMBL2552971

OB(O)c1cc(-c2nccs2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
SMPD3 Q9NY59 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADRB2 P07550 1/20 0.37
CHEK2 O96017 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HDAC2 Q92769 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
HSP90AA1 P07900 1/20 0.32
ACLY P53396 1/20 0.32
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL28824587 0.72 PDPK1 (0.48) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL28617847 0.70 CYP2A6 (0.42) CYP2A6
SCHEMBL1920933 0.70 PDPK1 (0.57) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL1921199 0.69 PDPK1 (0.55) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL29956459 0.69 PDPK1 (0.42) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL29950845 0.68 PDPK1 (0.44) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL6067979 0.67 SMPD3 (0.58) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL722198 0.67 PDPK1 (0.77) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL29957031 0.67 PDPK1 (0.43) PDPK1SMPD3LOXL2CYP2A6ADRB2
SCHEMBL11013274 0.67 PDPK1 (0.52) PDPK1SMPD3LOXL2CYP2A6ADRB2

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