SCHEMBL2558337

SCHEMBL2558337

O=Cc1c(-c2ccc(F)c(F)c2)nn(-c2cccc(F)c2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ESR1 P03372 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL2559499 0.91 MAPT (0.37) IDO1TDO2ESR1CA1CA2
SCHEMBL15329796 0.91 DHODH (0.37) IDO1TDO2CA1CA2USP2
SCHEMBL2557352 0.89 CA1 (0.39) CA1CA2POLBMEN1USP2
SCHEMBL15332622 0.89 CA1 (0.36) IDO1CA1CA2POLBPTGS1
SCHEMBL15332132 0.89 CA1 (0.40) IDO1CA1CA2MEN1USP2
SCHEMBL2556621 0.86 CA1 (0.41) CA1CA2POLBMEN1USP2
SCHEMBL2560256 0.86 IDO1 (0.39) IDO1TDO2ESR1POLBKMT2A
SCHEMBL15330409 0.86 NPC1 (0.36) IDO1TDO2ESR1KMT2AGAA
SCHEMBL2558886 0.86 AHR (0.35) IDO1TDO2ESR1CA1CA2
SCHEMBL2551849 0.84 IDO1 (0.40) IDO1TDO2ESR1POLBFAAH

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