SCHEMBL2560554

SCHEMBL2560554

COc1ccccc1CNc1nc(SC)ncc1C=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.47
CYP3A4 P08684 8/20 0.47
CYP2D6 P10635 8/20 0.47
CYP2C19 P33261 8/20 0.47
TSHR P16473 7/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CYP2C9 P11712 2/20 0.47
HSD17B10 Q99714 6/20 0.45
ALOX15 P16050 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ATM Q13315 1/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL2554057 0.80 PPARG (0.51) HSD17B10HTTSMN1; SMN2
SCHEMBL2556613 0.80 LRRK2 (0.45) ALDH1A1KDM4ETDP1MAPK1LMNA
SCHEMBL24669065 0.80 CA1 (0.43) CLK4MAPK1HTT
SCHEMBL4712462 0.79 HTT (0.51) CLK4MAPTHTTEGFRMEN1
SCHEMBL4974488 0.78 HTT (0.46) HTTMEN1KMT2A
SCHEMBL2559849 0.77 HTT (0.70) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL1373028 0.77 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL1521840 0.74 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL14914225 0.74 PPARG (0.53) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL2555193 0.74 ALDH1A1 (0.59) CYP1A2CYP3A4CYP2C19TSHRCLK4

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