SCHEMBL2554411

SCHEMBL2554411

O=Cc1c(-c2ccccc2)nn(-c2cc(F)cc(F)c2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PTGS2 P35354 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PTGER1 P34995 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SRC P12931 1/20 0.33
BRAF P15056 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
SCHEMBL15332036 0.90 POLB (0.40) POLBPTGS2NPSR1KMT2ALMNA
SCHEMBL2556611 0.90 DHODH (0.37) POLBPTGS2PTGER1KMT2AALDH1A1
SCHEMBL2562133 0.89 LMNA (0.39) POLBPTGS2KMT2AMEN1LMNA
SCHEMBL15329615 0.89
SCHEMBL15333698 0.88 POLB (0.46) POLBPTGS2NPSR1KMT2AMEN1
SCHEMBL2557487 0.87 LMNA (0.40) POLBPTGS2NPSR1KMT2AMEN1
SCHEMBL2562810 0.86 GRM5 (0.35) PTGS2NPSR1KMT2AMEN1LMNA
SCHEMBL11726388 0.86 PTGS2 (0.46) PTGS2NPSR1KMT2AMEN1LMNA
SCHEMBL15330648 0.85 NPSR1 (0.53) PTGS2NPSR1KMT2AMEN1LMNA
SCHEMBL15330588 0.85 POLB (0.52) POLBPTGS2NPSR1KMT2AMEN1

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