SCHEMBL2556780

SCHEMBL2556780

O=Cc1c(-c2cccc(F)c2F)[nH]c2c(F)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.38
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
CNR1 P21554 5/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
AURKA O14965 1/20 0.34
ALOX5 P09917 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
AURKB Q96GD4 1/20 0.34
AURKC Q9UQB9 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33

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
SCHEMBL15329563 0.91 FEN1 (0.36) FEN1MAPK10RIPK1CNR1GSK3A
SCHEMBL2561523 0.90 ERN1 (0.33) DHODHCYP11B1CYP11B2
SCHEMBL15330874 0.89 CNR1 (0.40) FEN1MAPK10RIPK1CNR1GSK3A
SCHEMBL2554134 0.89 PDE7A (0.40) MAPK10RIPK1GSK3BCDK5CDK5R1
SCHEMBL2561703 0.89 PDE7A (0.40) GSK3BCDK5CDK5R1CYP11B1CYP11B2
SCHEMBL2557351 0.86 GSK3A (0.37) GSK3AGSK3BCYP11B1CYP11B2
SCHEMBL15329887 0.85 TNKS (0.38) FEN1CNR1GSK3AGSK3BAURKA
SCHEMBL2553852 0.85 ALDH1A1 (0.51) MAPK10TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15330473 0.84 KMT2A (0.41) FEN1CNR1GSK3AGSK3BALOX5
SCHEMBL15332902 0.84 DHODH (0.37) ALOX5DHODH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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