SCHEMBL2561447

SCHEMBL2561447

O=Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
AHR P35869 1/20 0.67
HPGD P15428 2/20 0.60
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.50
HAVCR2 Q8TDQ0 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
BACE1 P56817 1/20 0.49

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
SCHEMBL15330595 0.88 NPC1 (0.65) SMN1; SMN2AHRHPGDALDH1A1MAPT
SCHEMBL2559333 0.87 HTT (0.60) SMN1; SMN2AHRHPGDALDH1A1MAPT
SCHEMBL2561801 0.87 KMT2A (0.56) SMN1; SMN2AHRHPGDALDH1A1MAPT
SCHEMBL2554168 0.86 HPGD (0.64) SMN1; SMN2HPGDALDH1A1MAPTMEN1
SCHEMBL2556394 0.85 KMT2A (0.57) SMN1; SMN2AHRMAPTMEN1KMT2A
SCHEMBL2558466 0.85 SMN1; SMN2 (0.62) SMN1; SMN2AHRHPGDALDH1A1MAPT
SCHEMBL2561225 0.84 KMT2A (0.68) SMN1; SMN2AHRHPGDALDH1A1MAPT
SCHEMBL2553661 0.84 NPC1 (0.72) SMN1; SMN2AHRHPGDALDH1A1MAPT
SCHEMBL2561612 0.82 NPC1 (0.61) SMN1; SMN2AHRHPGDALDH1A1MAPT
SCHEMBL2559946 0.82 MAPK1 (0.59) SMN1; SMN2HPGDALDH1A1MAPTMAOA

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