SCHEMBL2562844

SCHEMBL2562844

O=Cc1c(Br)nn(-c2ccc(F)cc2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABHD16A O95870 1/20 0.36
LMNA P02545 1/20 0.35
PTGS2 P35354 8/20 0.34
PTGS1 P23219 6/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 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
SCHEMBL2556063 0.83 PTGS1 (0.37) L3MBTL1LMNAPTGS2PTGS1IDO1
SCHEMBL2556085 0.83
SCHEMBL29956193 0.83 POLB (0.43) CA1CA2ALDH1A1LMNAPTGS2
SCHEMBL29951589 0.83 PTGS2 (0.39) L3MBTL1PTGS2PTGS1CYP2D6CYP2C9
SCHEMBL2557923 0.83 CA1 (0.35) CA1CA2PTGS2PTGS1POLB
SCHEMBL2558943 0.81 IDO1 (0.40) ALDH1A1IDO1TDO2POLBKMT2A
SCHEMBL15331267 0.79 CA1 (0.38) CA1CA2LMNAPTGS2PTGS1
SCHEMBL15333698 0.79 POLB (0.46) CA1CA2ALDH1A1LMNAPTGS2
SCHEMBL2555811 0.79 IDO1 (0.41) ALDH1A1IDO1TDO2POLBMEN1
SCHEMBL2558155 0.78 MAPT (0.46) ALDH1A1LMNAPTGS2PTGS1IDO1

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