SCHEMBL2553852

SCHEMBL2553852

COc1cccc2c(C=O)c(-c3cccc(F)c3F)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
NQO2 P16083 1/20 0.43
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 6/20 0.38
TUBB P07437 6/20 0.38
TUBA3C P0DPH7 6/20 0.38

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
SCHEMBL15330435 0.91 ALDH1A1 (0.52) ALDH1A1NQO2KDM4EHPGDMEN1
SCHEMBL15331732 0.86 ALDH1A1 (0.54) ALDH1A1NQO2KDM4EHPGDMEN1
SCHEMBL2556780 0.85 FEN1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15331110 0.84 ALDH1A1 (0.50) ALDH1A1NQO2KDM4EHPGDMEN1
SCHEMBL2553070 0.84 ALDH1A1 (0.50) ALDH1A1NQO2KDM4EHPGDMEN1
SCHEMBL2554134 0.83 PDE7A (0.40) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL15330099 0.83 ALDH1A1 (0.54) ALDH1A1NQO2KDM4EHPGDMEN1
SCHEMBL2561523 0.81 ERN1 (0.33) ERN1AR
SCHEMBL15329846 0.81 ALDH1A1 (0.52) ALDH1A1NQO2KDM4EHPGDMEN1
SCHEMBL2561703 0.81 PDE7A (0.40) ALDH1A1KDM4EHPGDMEN1MAPT

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