SCHEMBL2553070

SCHEMBL2553070

COc1cccc2c(C=O)c(-c3ccc(F)cc3F)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NQO2 P16083 1/20 0.45
NR3C1 P04150 2/20 0.41
PGR P06401 2/20 0.41
NR3C2 P08235 2/20 0.41
AR P10275 2/20 0.41
HTT P42858 2/20 0.40
TUBB4A P04350 5/20 0.39
TUBB P07437 5/20 0.39
TUBA3C P0DPH7 5/20 0.39
TUBA1B P68363 5/20 0.39
TUBA4A P68366 5/20 0.39
TUBB4B P68371 5/20 0.39
TUBB3 Q13509 5/20 0.39
TUBB2A Q13885 5/20 0.39
TUBB8 Q3ZCM7 5/20 0.39
TUBA3E Q6PEY2 5/20 0.39
TUBA1A Q71U36 5/20 0.39
TUBA1C Q9BQE3 5/20 0.39
TUBB6 Q9BUF5 5/20 0.39

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
SCHEMBL15331110 0.90 ALDH1A1 (0.50) ALDH1A1NQO2NR3C1PGRNR3C2
SCHEMBL15330435 0.88 ALDH1A1 (0.52) ALDH1A1NQO2NR3C1PGRNR3C2
SCHEMBL15330343 0.86 MAPK13 (0.42) ALDH1A1ARHTTMEN1KMT2A
SCHEMBL15332951 0.85 PARP1 (0.39) ALDH1A1ARHTTMEN1POLB
SCHEMBL2553852 0.84 ALDH1A1 (0.51) ALDH1A1NQO2NR3C1PGRNR3C2
SCHEMBL2560581 0.84 ALDH1A1 (0.51) ALDH1A1NQO2NR3C1PGRNR3C2
SCHEMBL15330423 0.84 ALDH1A1 (0.53) ALDH1A1NQO2NR3C1PGRNR3C2
SCHEMBL2559370 0.82 MAPK14 (0.37) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL15332034 0.82 ALDH1A1 (0.54) ALDH1A1NQO2NR3C1PGRNR3C2
SCHEMBL15331732 0.82 ALDH1A1 (0.54) ALDH1A1NQO2NR3C1PGRNR3C2

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