SCHEMBL2551058

SCHEMBL2551058

O=Cc1c(-c2cccc(F)c2F)[nH]c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
PTGS2 P35354 2/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL15330837 0.89 KDM4E (0.48) KDM4EALDH1A1GAAGLAHTT
SCHEMBL2558230 0.88 ALDH1A1 (0.40) KDM4EALDH1A1GAAGLAHTT
SCHEMBL15330490 0.87 AHR (0.42) KDM4EALDH1A1GAACCNB2CDK1
SCHEMBL2554943 0.87 MEN1 (0.40) KDM4EALDH1A1CCNB2CDK1CCNB1
SCHEMBL2561274 0.87 ALDH1A1 (0.40) KDM4EALDH1A1GAAGLAHTT
SCHEMBL15330614 0.85 KDM4E (0.45) KDM4EALDH1A1GAAGLAHTT
SCHEMBL2560580 0.84 KDM4E (0.40) KDM4EGAA
SCHEMBL2557019 0.84 AHR (0.45) KDM4EALDH1A1CCNB2CDK1CCNB1
SCHEMBL15332059 0.83 KDM4E (0.43) KDM4EALDH1A1GAAGLAHTT
SCHEMBL15330358 0.83 PIM1 (0.45) KDM4EALDH1A1GAAGLAHTT

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